6-amino-N-[3-(3,3-diphenylpropylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)hexanamide

C29H37N3O3 — CID 3361345

IUPAC6-amino-N-[3-(3,3-diphenylpropylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)hexanamide
SMILESNCCCCCC(=O)N(CCC(=O)NCCC(c1ccccc1)c1ccccc1)Cc1ccco1
InChIInChI=1S/C29H37N3O3/c30-19-9-3-8-16-29(34)32(23-26-15-10-22-35-26)21-18-28(33)31-20-17-27(24-11-4-1-5-12-24)25-13-6-2-7-14-25/h1-2,4-7,10-15,22,27H,3,8-9,16-21,23,30H2,(H,31,33)
InChIKeyKCFGBMREXVULQM-UHFFFAOYSA-N
MW475.63 g/mol
LogP4.86
Rot. Bonds15

About 6-amino-N-[3-(3,3-diphenylpropylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)hexanamide

6-amino-N-[3-(3,3-diphenylpropylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)hexanamide (PubChem CID 3361345) has the molecular formula C29H37N3O3 and a molecular weight of 475.63 g/mol. Its IUPAC name is 6-amino-N-[3-(3,3-diphenylpropylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)hexanamide.

Molecular Properties

Compound Name6-amino-N-[3-(3,3-diphenylpropylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)hexanamide
PubChem CID3361345
Molecular FormulaC29H37N3O3
Molecular Weight475.63 g/mol
Exact Mass475.28
IUPAC Name6-amino-N-[3-(3,3-diphenylpropylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)hexanamide
SMILESNCCCCCC(=O)N(CCC(=O)NCCC(c1ccccc1)c1ccccc1)Cc1ccco1
InChIInChI=1S/C29H37N3O3/c30-19-9-3-8-16-29(34)32(23-26-15-10-22-35-26)21-18-28(33)31-20-17-27(24-11-4-1-5-12-24)25-13-6-2-7-14-25/h1-2,4-7,10-15,22,27H,3,8-9,16-21,23,30H2,(H,31,33)
InChIKeyKCFGBMREXVULQM-UHFFFAOYSA-N
XLogP4.86
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.63
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-benzyl-N-[3-(3,3-diphenylpropylamino)-3-oxopropyl]hexanamide
CID 4541760
3-amino-N-(3,3-diphenylpropyl)propanamide
CID 61260173
3-[furan-2-ylmethyl(pentanoyl)amino]propanoic acid
CID 82323491
4-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)butanamide
CID 54874085
N-[4-[benzyl(furan-2-ylmethyl)amino]-4-oxobutyl]furan-2-carboxamide
CID 37429112
N-(2-aminoethyl)-3-(furan-2-yl)propanamide
CID 28779702
N-(3,3-diphenylpropyl)-3-[ethylcarbamoyl(propyl)amino]propanamide
CID 42700207
3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(3-methylbutyl)propanamide
CID 113138509
N-[3-(butylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)furan-3-carboxamide
CID 42779623
6-amino-N-[2-(N-methylanilino)ethyl]hexanamide
CID 61260836
N'-(furan-2-ylmethyl)-N'-[2-(3-methylbutylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide
CID 3205151
1-(3,3-diphenylpropyl)-3-[3-(furan-2-ylmethoxy)propyl]urea
CID 31964425

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[3-(3,3-diphenylpropylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)hexanamide?
The IUPAC name of 6-amino-N-[3-(3,3-diphenylpropylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)hexanamide (CID 3361345) is 6-amino-N-[3-(3,3-diphenylpropylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)hexanamide.
What is the SMILES notation for 6-amino-N-[3-(3,3-diphenylpropylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)hexanamide?
The canonical SMILES for 6-amino-N-[3-(3,3-diphenylpropylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)hexanamide is NCCCCCC(=O)N(CCC(=O)NCCC(c1ccccc1)c1ccccc1)Cc1ccco1.
What is the InChIKey of 6-amino-N-[3-(3,3-diphenylpropylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)hexanamide?
The InChIKey is KCFGBMREXVULQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O3/c30-19-9-3-8-16-29(34)32(23-26-15-10-22-35-26)21-18-28(33)31-20-17-27(24-11-4-1-5-12-24)25-13-6-2-7-14-25/h1-2,4-7,10-15,22,27H,3,8-9,16-21,23,30H2,(H,31,33).
What are the key properties of 6-amino-N-[3-(3,3-diphenylpropylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)hexanamide?
6-amino-N-[3-(3,3-diphenylpropylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)hexanamide has a molecular weight of 475.63 g/mol, XLogP of 4.86, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[3-(3,3-diphenylpropylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)hexanamide is sourced from PubChem (CID 3361345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).