(2R)-N-[4-(dimethylamino)phenyl]-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]propanamide

C23H26N4O3 — CID 2568044

IUPAC(2R)-N-[4-(dimethylamino)phenyl]-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]propanamide
SMILESC[C@H](C(=O)Nc1ccc(N(C)C)cc1)N1C(=O)N[C@@]2(CCCc3ccccc32)C1=O
InChIInChI=1S/C23H26N4O3/c1-15(20(28)24-17-10-12-18(13-11-17)26(2)3)27-21(29)23(25-22(27)30)14-6-8-16-7-4-5-9-19(16)23/h4-5,7,9-13,15H,6,8,14H2,1-3H3,(H,24,28)(H,25,30)/t15-,23-/m1/s1
InChIKeyYTGOMIVORRQDDB-IQMFZBJNSA-N
MW406.49 g/mol
LogP2.86
Rot. Bonds4

About (2R)-N-[4-(dimethylamino)phenyl]-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]propanamide

(2R)-N-[4-(dimethylamino)phenyl]-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]propanamide (PubChem CID 2568044) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is (2R)-N-[4-(dimethylamino)phenyl]-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-[4-(dimethylamino)phenyl]-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]propanamide
PubChem CID2568044
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name(2R)-N-[4-(dimethylamino)phenyl]-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]propanamide
SMILESC[C@H](C(=O)Nc1ccc(N(C)C)cc1)N1C(=O)N[C@@]2(CCCc3ccccc32)C1=O
InChIInChI=1S/C23H26N4O3/c1-15(20(28)24-17-10-12-18(13-11-17)26(2)3)27-21(29)23(25-22(27)30)14-6-8-16-7-4-5-9-19(16)23/h4-5,7,9-13,15H,6,8,14H2,1-3H3,(H,24,28)(H,25,30)/t15-,23-/m1/s1
InChIKeyYTGOMIVORRQDDB-IQMFZBJNSA-N
XLogP2.86
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(3-chlorophenyl)-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]propanamide
CID 7916507
(2S)-2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-phenylpropanamide
CID 41155193
3'-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 4878980
N-[4-[2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetyl]phenyl]-2-methylpropanamide
CID 41136102
(2R)-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 2368211
2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 40720924
2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 4810150
N-(4-acetamidophenyl)-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 7168506
N-[4-[(2R)-butan-2-yl]phenyl]-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 7168484
N-[4-[2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetyl]phenyl]-3-methylbutanamide
CID 2114313
N-(4-bromophenyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
CID 3356130
2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-(4-phenylphenyl)acetamide
CID 25388429

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(dimethylamino)phenyl]-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]propanamide?
The IUPAC name of (2R)-N-[4-(dimethylamino)phenyl]-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]propanamide (CID 2568044) is (2R)-N-[4-(dimethylamino)phenyl]-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]propanamide.
What is the SMILES notation for (2R)-N-[4-(dimethylamino)phenyl]-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]propanamide?
The canonical SMILES for (2R)-N-[4-(dimethylamino)phenyl]-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]propanamide is C[C@H](C(=O)Nc1ccc(N(C)C)cc1)N1C(=O)N[C@@]2(CCCc3ccccc32)C1=O.
What is the InChIKey of (2R)-N-[4-(dimethylamino)phenyl]-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]propanamide?
The InChIKey is YTGOMIVORRQDDB-IQMFZBJNSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-15(20(28)24-17-10-12-18(13-11-17)26(2)3)27-21(29)23(25-22(27)30)14-6-8-16-7-4-5-9-19(16)23/h4-5,7,9-13,15H,6,8,14H2,1-3H3,(H,24,28)(H,25,30)/t15-,23-/m1/s1.
What are the key properties of (2R)-N-[4-(dimethylamino)phenyl]-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]propanamide?
(2R)-N-[4-(dimethylamino)phenyl]-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]propanamide has a molecular weight of 406.49 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(dimethylamino)phenyl]-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]propanamide is sourced from PubChem (CID 2568044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).