7-amino-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]heptanamide

C17H24N4O3 — CID 119728470

IUPAC7-amino-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]heptanamide
SMILESCC1(c2cccc(NC(=O)CCCCCCN)c2)NC(=O)NC1=O
InChIInChI=1S/C17H24N4O3/c1-17(15(23)20-16(24)21-17)12-7-6-8-13(11-12)19-14(22)9-4-2-3-5-10-18/h6-8,11H,2-5,9-10,18H2,1H3,(H,19,22)(H2,20,21,23,24)
InChIKeyBKNZIWIPGXCXGS-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.59
Rot. Bonds8

About 7-amino-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]heptanamide

7-amino-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]heptanamide (PubChem CID 119728470) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 7-amino-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]heptanamide
PubChem CID119728470
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name7-amino-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]heptanamide
SMILESCC1(c2cccc(NC(=O)CCCCCCN)c2)NC(=O)NC1=O
InChIInChI=1S/C17H24N4O3/c1-17(15(23)20-16(24)21-17)12-7-6-8-13(11-12)19-14(22)9-4-2-3-5-10-18/h6-8,11H,2-5,9-10,18H2,1H3,(H,19,22)(H2,20,21,23,24)
InChIKeyBKNZIWIPGXCXGS-UHFFFAOYSA-N
XLogP1.59
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

5-(4-bromophenyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pentanamide
CID 60513548
2-(methylamino)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]acetamide;hydrochloride
CID 119728481
3-(1H-indol-3-yl)-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]propanamide
CID 51949276
3-(3-chlorophenoxy)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]propanamide
CID 55961363
N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 51949462
2-(2,3-dihydro-1H-inden-5-yl)-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]acetamide
CID 52502832
N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-(5-methylthiophen-2-yl)acetamide
CID 129368217
2-amino-3-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]butanamide
CID 119292140
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]propanamide
CID 51949351
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]propanamide
CID 51949406
N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 51949326
N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]thiophene-2-carboxamide
CID 51983587

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]heptanamide?
The IUPAC name of 7-amino-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]heptanamide (CID 119728470) is 7-amino-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]heptanamide.
What is the SMILES notation for 7-amino-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]heptanamide?
The canonical SMILES for 7-amino-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]heptanamide is CC1(c2cccc(NC(=O)CCCCCCN)c2)NC(=O)NC1=O.
What is the InChIKey of 7-amino-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]heptanamide?
The InChIKey is BKNZIWIPGXCXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-17(15(23)20-16(24)21-17)12-7-6-8-13(11-12)19-14(22)9-4-2-3-5-10-18/h6-8,11H,2-5,9-10,18H2,1H3,(H,19,22)(H2,20,21,23,24).
What are the key properties of 7-amino-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]heptanamide?
7-amino-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]heptanamide has a molecular weight of 332.40 g/mol, XLogP of 1.59, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]heptanamide is sourced from PubChem (CID 119728470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).