N-(3,4-diaminodecyl)benzamide

C17H29N3O — CID 174528291

IUPACN-(3,4-diaminodecyl)benzamide
SMILESCCCCCCC(N)C(N)CCNC(=O)c1ccccc1
InChIInChI=1S/C17H29N3O/c1-2-3-4-8-11-15(18)16(19)12-13-20-17(21)14-9-6-5-7-10-14/h5-7,9-10,15-16H,2-4,8,11-13,18-19H2,1H3,(H,20,21)
InChIKeyXDLKBVKADNSVIX-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.43
Rot. Bonds10

About N-(3,4-diaminodecyl)benzamide

N-(3,4-diaminodecyl)benzamide (PubChem CID 174528291) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-(3,4-diaminodecyl)benzamide.

Molecular Properties

Compound NameN-(3,4-diaminodecyl)benzamide
PubChem CID174528291
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-(3,4-diaminodecyl)benzamide
SMILESCCCCCCC(N)C(N)CCNC(=O)c1ccccc1
InChIInChI=1S/C17H29N3O/c1-2-3-4-8-11-15(18)16(19)12-13-20-17(21)14-9-6-5-7-10-14/h5-7,9-10,15-16H,2-4,8,11-13,18-19H2,1H3,(H,20,21)
InChIKeyXDLKBVKADNSVIX-UHFFFAOYSA-N
XLogP2.43
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4,4-dihydroxy-5-methylheptadecyl)benzamide
CID 141297357
N-benzoylbenzohydrazide;2-nonylpropanedioic acid
CID 175262903
2-benzamidoethyl-dimethyl-octylazanium
CID 101426942
N-[3-(hexylamino)-3-oxopropyl]benzamide
CID 17154430
N-octadec-9-enylbenzamide
CID 54554566
2-benzoyldodecanamide
CID 87280750
1H-azepine;N-pentylbenzamide
CID 175240845
3-amino-1-phenyloctadecan-1-one
CID 54040118
N-(3-amino-3-phenylpropyl)benzamide
CID 80506685
N-[3-oxo-3-(pentylamino)propyl]benzamide
CID 17154443
N-[3-[[amino-(octylamino)methylidene]amino]propyl]benzamide
CID 111094065
N-(3-hydroxy-4,4-dimethylpentyl)benzamide
CID 90523327

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diaminodecyl)benzamide?
The IUPAC name of N-(3,4-diaminodecyl)benzamide (CID 174528291) is N-(3,4-diaminodecyl)benzamide.
What is the SMILES notation for N-(3,4-diaminodecyl)benzamide?
The canonical SMILES for N-(3,4-diaminodecyl)benzamide is CCCCCCC(N)C(N)CCNC(=O)c1ccccc1.
What is the InChIKey of N-(3,4-diaminodecyl)benzamide?
The InChIKey is XDLKBVKADNSVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-2-3-4-8-11-15(18)16(19)12-13-20-17(21)14-9-6-5-7-10-14/h5-7,9-10,15-16H,2-4,8,11-13,18-19H2,1H3,(H,20,21).
What are the key properties of N-(3,4-diaminodecyl)benzamide?
N-(3,4-diaminodecyl)benzamide has a molecular weight of 291.44 g/mol, XLogP of 2.43, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diaminodecyl)benzamide is sourced from PubChem (CID 174528291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).