(2R)-2,5-diamino-N-[1-(furan-2-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]pentanamide

C21H24N4O3 — CID 57396599

IUPAC(2R)-2,5-diamino-N-[1-(furan-2-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]pentanamide
SMILESNCCC[C@@H](N)C(=O)NC(C(=O)Nc1ccc2ccccc2c1)c1ccco1
InChIInChI=1S/C21H24N4O3/c22-11-3-7-17(23)20(26)25-19(18-8-4-12-28-18)21(27)24-16-10-9-14-5-1-2-6-15(14)13-16/h1-2,4-6,8-10,12-13,17,19H,3,7,11,22-23H2,(H,24,27)(H,25,26)/t17-,19?/m1/s1
InChIKeyQVXQAPGOJCQSAG-DUSLRRAJSA-N
MW380.45 g/mol
LogP2.30
Rot. Bonds8

About (2R)-2,5-diamino-N-[1-(furan-2-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]pentanamide

(2R)-2,5-diamino-N-[1-(furan-2-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]pentanamide (PubChem CID 57396599) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is (2R)-2,5-diamino-N-[1-(furan-2-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]pentanamide.

Molecular Properties

Compound Name(2R)-2,5-diamino-N-[1-(furan-2-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]pentanamide
PubChem CID57396599
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name(2R)-2,5-diamino-N-[1-(furan-2-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]pentanamide
SMILESNCCC[C@@H](N)C(=O)NC(C(=O)Nc1ccc2ccccc2c1)c1ccco1
InChIInChI=1S/C21H24N4O3/c22-11-3-7-17(23)20(26)25-19(18-8-4-12-28-18)21(27)24-16-10-9-14-5-1-2-6-15(14)13-16/h1-2,4-6,8-10,12-13,17,19H,3,7,11,22-23H2,(H,24,27)(H,25,26)/t17-,19?/m1/s1
InChIKeyQVXQAPGOJCQSAG-DUSLRRAJSA-N
XLogP2.30
TPSA123.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2R)-2,5-diamino-N-[1-(furan-2-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2,5-diamino-N-[1-(furan-2-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]pentanamide?
The IUPAC name of (2R)-2,5-diamino-N-[1-(furan-2-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]pentanamide (CID 57396599) is (2R)-2,5-diamino-N-[1-(furan-2-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]pentanamide.
What is the SMILES notation for (2R)-2,5-diamino-N-[1-(furan-2-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]pentanamide?
The canonical SMILES for (2R)-2,5-diamino-N-[1-(furan-2-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]pentanamide is NCCC[C@@H](N)C(=O)NC(C(=O)Nc1ccc2ccccc2c1)c1ccco1.
What is the InChIKey of (2R)-2,5-diamino-N-[1-(furan-2-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]pentanamide?
The InChIKey is QVXQAPGOJCQSAG-DUSLRRAJSA-N. The full InChI is InChI=1S/C21H24N4O3/c22-11-3-7-17(23)20(26)25-19(18-8-4-12-28-18)21(27)24-16-10-9-14-5-1-2-6-15(14)13-16/h1-2,4-6,8-10,12-13,17,19H,3,7,11,22-23H2,(H,24,27)(H,25,26)/t17-,19?/m1/s1.
What are the key properties of (2R)-2,5-diamino-N-[1-(furan-2-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]pentanamide?
(2R)-2,5-diamino-N-[1-(furan-2-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]pentanamide has a molecular weight of 380.45 g/mol, XLogP of 2.30, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,5-diamino-N-[1-(furan-2-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]pentanamide is sourced from PubChem (CID 57396599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).