N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2-phenylbutanamide

C24H29N3O2 — CID 46137649

IUPACN-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2-phenylbutanamide
SMILESCCC(C(=O)N(Cc1ccco1)Cc1cc(N)ccc1N(C)C)c1ccccc1
InChIInChI=1S/C24H29N3O2/c1-4-22(18-9-6-5-7-10-18)24(28)27(17-21-11-8-14-29-21)16-19-15-20(25)12-13-23(19)26(2)3/h5-15,22H,4,16-17,25H2,1-3H3
InChIKeyKNTAJVRXPBZECD-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.65
Rot. Bonds8

About N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2-phenylbutanamide

N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2-phenylbutanamide (PubChem CID 46137649) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2-phenylbutanamide.

Molecular Properties

Compound NameN-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2-phenylbutanamide
PubChem CID46137649
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC NameN-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2-phenylbutanamide
SMILESCCC(C(=O)N(Cc1ccco1)Cc1cc(N)ccc1N(C)C)c1ccccc1
InChIInChI=1S/C24H29N3O2/c1-4-22(18-9-6-5-7-10-18)24(28)27(17-21-11-8-14-29-21)16-19-15-20(25)12-13-23(19)26(2)3/h5-15,22H,4,16-17,25H2,1-3H3
InChIKeyKNTAJVRXPBZECD-UHFFFAOYSA-N
XLogP4.65
TPSA62.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(dimethylamino)-3-[[furan-2-ylmethyl(2-methylpropanoyl)amino]methyl]phenyl]-2-methylpropanamide
CID 42815648
N-[4-(dimethylamino)-3-[[2-ethylbutanoyl(furan-2-ylmethyl)amino]methyl]phenyl]furan-2-carboxamide
CID 42817244
N-[[5-amino-2-(dimethylamino)phenyl]methyl]-2-ethyl-N-(1-phenylethyl)butanamide
CID 42815492
3-amino-N-(furan-2-ylmethyl)-N-methyl-2-phenylpropanamide
CID 62878878
N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(1-phenylethyl)acetamide
CID 24712140
N-[4-(dimethylamino)-3-[[[(2S)-3-methylbutan-2-yl]-[(2R)-2-phenylbutanoyl]amino]methyl]phenyl]furan-2-carboxamide
CID 93129415
N-tert-butyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylbutanamide
CID 3514353
N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 42815461
2-amino-N,N-bis(furan-2-ylmethyl)-3-methylpentanamide
CID 60938301
(2R)-N-(cyclopropylmethyl)-N-[[2-(dimethylamino)-5-(ethylcarbamoylamino)phenyl]methyl]-2-phenylbutanamide
CID 93129513
N-[3-[[cyclopropylmethyl-[(2S)-2-phenylbutanoyl]amino]methyl]-4-(dimethylamino)phenyl]-3-methylbutanamide
CID 93129464
(2S)-N-[2-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-phenyl-N-prop-2-enylbutanamide
CID 7225373

Frequently Asked Questions

What is the IUPAC name of N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2-phenylbutanamide?
The IUPAC name of N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2-phenylbutanamide (CID 46137649) is N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2-phenylbutanamide.
What is the SMILES notation for N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2-phenylbutanamide?
The canonical SMILES for N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2-phenylbutanamide is CCC(C(=O)N(Cc1ccco1)Cc1cc(N)ccc1N(C)C)c1ccccc1.
What is the InChIKey of N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2-phenylbutanamide?
The InChIKey is KNTAJVRXPBZECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-4-22(18-9-6-5-7-10-18)24(28)27(17-21-11-8-14-29-21)16-19-15-20(25)12-13-23(19)26(2)3/h5-15,22H,4,16-17,25H2,1-3H3.
What are the key properties of N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2-phenylbutanamide?
N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2-phenylbutanamide has a molecular weight of 391.52 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2-phenylbutanamide is sourced from PubChem (CID 46137649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).