N-benzyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]hexanamide

C25H30N2O3 — CID 30343425

IUPACN-benzyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]hexanamide
SMILESCCCCCC(=O)N(CCCNc1cc(=O)oc2ccccc12)Cc1ccccc1
InChIInChI=1S/C25H30N2O3/c1-2-3-5-15-24(28)27(19-20-11-6-4-7-12-20)17-10-16-26-22-18-25(29)30-23-14-9-8-13-21(22)23/h4,6-9,11-14,18,26H,2-3,5,10,15-17,19H2,1H3
InChIKeyHNXVFMCXZJGKBX-UHFFFAOYSA-N
MW406.53 g/mol
LogP5.20
Rot. Bonds11

About N-benzyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]hexanamide

N-benzyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]hexanamide (PubChem CID 30343425) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-benzyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]hexanamide.

Molecular Properties

Compound NameN-benzyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]hexanamide
PubChem CID30343425
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC NameN-benzyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]hexanamide
SMILESCCCCCC(=O)N(CCCNc1cc(=O)oc2ccccc12)Cc1ccccc1
InChIInChI=1S/C25H30N2O3/c1-2-3-5-15-24(28)27(19-20-11-6-4-7-12-20)17-10-16-26-22-18-25(29)30-23-14-9-8-13-21(22)23/h4,6-9,11-14,18,26H,2-3,5,10,15-17,19H2,1H3
InChIKeyHNXVFMCXZJGKBX-UHFFFAOYSA-N
XLogP5.20
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]hexanamide
CID 30343075
N-benzyl-2-(4-fluorophenoxy)-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide
CID 30343292
N-benzyl-2-methoxy-3-methyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]benzamide
CID 30343461
N-benzyl-2-(2-nitrophenoxy)-N-[3-[(2-oxochromen-4-yl)amino]propyl]acetamide
CID 30343311
N-benzyl-2-chloro-4-nitro-N-[3-[(2-oxochromen-4-yl)amino]propyl]benzamide
CID 30343232
N-(3-aminopropyl)-N-benzylhexanamide
CID 107366146
N-benzyl-N-butyl-4-hydroxybutanamide
CID 139706995
3-[benzyl(pentanoyl)amino]propanoic acid
CID 82323494
N-benzyl-N-(2-phenylethyl)pentanamide
CID 112791262
6-[benzyl(propyl)amino]-6-oxohexanoic acid
CID 43579947
N-benzyl-N-butylpropanamide
CID 12502571
N-benzyl-2-bromo-N-hexylacetamide
CID 68872277

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]hexanamide?
The IUPAC name of N-benzyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]hexanamide (CID 30343425) is N-benzyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]hexanamide.
What is the SMILES notation for N-benzyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]hexanamide?
The canonical SMILES for N-benzyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]hexanamide is CCCCCC(=O)N(CCCNc1cc(=O)oc2ccccc12)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]hexanamide?
The InChIKey is HNXVFMCXZJGKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-2-3-5-15-24(28)27(19-20-11-6-4-7-12-20)17-10-16-26-22-18-25(29)30-23-14-9-8-13-21(22)23/h4,6-9,11-14,18,26H,2-3,5,10,15-17,19H2,1H3.
What are the key properties of N-benzyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]hexanamide?
N-benzyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]hexanamide has a molecular weight of 406.53 g/mol, XLogP of 5.20, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[3-[(2-oxochromen-4-yl)amino]propyl]hexanamide is sourced from PubChem (CID 30343425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).