N-[3-[(3-amino-3-phenylpropanoyl)amino]propyl]-3-methylfuran-2-carboxamide

C18H23N3O3 — CID 119951886

IUPACN-[3-[(3-amino-3-phenylpropanoyl)amino]propyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NCCCNC(=O)CC(N)c1ccccc1
InChIInChI=1S/C18H23N3O3/c1-13-8-11-24-17(13)18(23)21-10-5-9-20-16(22)12-15(19)14-6-3-2-4-7-14/h2-4,6-8,11,15H,5,9-10,12,19H2,1H3,(H,20,22)(H,21,23)
InChIKeyRCFALGGTYKXISL-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.91
Rot. Bonds8

About N-[3-[(3-amino-3-phenylpropanoyl)amino]propyl]-3-methylfuran-2-carboxamide

N-[3-[(3-amino-3-phenylpropanoyl)amino]propyl]-3-methylfuran-2-carboxamide (PubChem CID 119951886) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[3-[(3-amino-3-phenylpropanoyl)amino]propyl]-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-amino-3-phenylpropanoyl)amino]propyl]-3-methylfuran-2-carboxamide
PubChem CID119951886
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-[3-[(3-amino-3-phenylpropanoyl)amino]propyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NCCCNC(=O)CC(N)c1ccccc1
InChIInChI=1S/C18H23N3O3/c1-13-8-11-24-17(13)18(23)21-10-5-9-20-16(22)12-15(19)14-6-3-2-4-7-14/h2-4,6-8,11,15H,5,9-10,12,19H2,1H3,(H,20,22)(H,21,23)
InChIKeyRCFALGGTYKXISL-UHFFFAOYSA-N
XLogP1.91
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(3-amino-2-methylbutanoyl)amino]propyl]-3-methylfuran-2-carboxamide
CID 120501390
5-[(3-amino-3-phenylpropanoyl)amino]-2-methylpentanoic acid
CID 115867289
N-[3-[(3-amino-2-methylbutanoyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride
CID 120501389
N-(4-aminobutyl)-3-methylfuran-2-carboxamide
CID 60895762
4-[(3-amino-3-phenylpropanoyl)amino]butanamide
CID 60865046
3-amino-N-[3-(2-methoxyethoxy)propyl]-3-phenylpropanamide
CID 61275597
N-[2-[(3-amino-3-phenylpropanoyl)amino]ethyl]-4-methylbenzamide
CID 119950377
3-amino-N-[3-(methanesulfonamido)propyl]-3-phenylpropanamide
CID 103823697
3-[(3-methylfuran-2-carbonyl)amino]-2-phenylpropanoic acid
CID 62883833
3-amino-N-(3-anilinopropyl)-3-phenylpropanamide;dihydrochloride
CID 119953482
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methylfuran-2-carboxamide
CID 119525583
3-amino-N-(5,5-dimethylhexyl)-3-phenylpropanamide
CID 119951271

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-amino-3-phenylpropanoyl)amino]propyl]-3-methylfuran-2-carboxamide?
The IUPAC name of N-[3-[(3-amino-3-phenylpropanoyl)amino]propyl]-3-methylfuran-2-carboxamide (CID 119951886) is N-[3-[(3-amino-3-phenylpropanoyl)amino]propyl]-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-[3-[(3-amino-3-phenylpropanoyl)amino]propyl]-3-methylfuran-2-carboxamide?
The canonical SMILES for N-[3-[(3-amino-3-phenylpropanoyl)amino]propyl]-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)NCCCNC(=O)CC(N)c1ccccc1.
What is the InChIKey of N-[3-[(3-amino-3-phenylpropanoyl)amino]propyl]-3-methylfuran-2-carboxamide?
The InChIKey is RCFALGGTYKXISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13-8-11-24-17(13)18(23)21-10-5-9-20-16(22)12-15(19)14-6-3-2-4-7-14/h2-4,6-8,11,15H,5,9-10,12,19H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[3-[(3-amino-3-phenylpropanoyl)amino]propyl]-3-methylfuran-2-carboxamide?
N-[3-[(3-amino-3-phenylpropanoyl)amino]propyl]-3-methylfuran-2-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.91, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-amino-3-phenylpropanoyl)amino]propyl]-3-methylfuran-2-carboxamide is sourced from PubChem (CID 119951886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).