7-amino-N-(1,2-dihydroacenaphthylen-5-yl)heptanamide

C19H24N2O — CID 119697802

IUPAC7-amino-N-(1,2-dihydroacenaphthylen-5-yl)heptanamide
SMILESNCCCCCCC(=O)Nc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C19H24N2O/c20-13-4-2-1-3-8-18(22)21-17-12-11-15-10-9-14-6-5-7-16(17)19(14)15/h5-7,11-12H,1-4,8-10,13,20H2,(H,21,22)
InChIKeyANFKPKDLQCISTL-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.79
Rot. Bonds7

About 7-amino-N-(1,2-dihydroacenaphthylen-5-yl)heptanamide

7-amino-N-(1,2-dihydroacenaphthylen-5-yl)heptanamide (PubChem CID 119697802) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 7-amino-N-(1,2-dihydroacenaphthylen-5-yl)heptanamide.

Molecular Properties

Compound Name7-amino-N-(1,2-dihydroacenaphthylen-5-yl)heptanamide
PubChem CID119697802
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name7-amino-N-(1,2-dihydroacenaphthylen-5-yl)heptanamide
SMILESNCCCCCCC(=O)Nc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C19H24N2O/c20-13-4-2-1-3-8-18(22)21-17-12-11-15-10-9-14-6-5-7-16(17)19(14)15/h5-7,11-12H,1-4,8-10,13,20H2,(H,21,22)
InChIKeyANFKPKDLQCISTL-UHFFFAOYSA-N
XLogP3.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1,2-dihydroacenaphthylen-5-yl)-4-(4-fluorophenyl)sulfanylbutanamide
CID 8700493
N-(1,2-dihydroacenaphthylen-5-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 18206563
N-(1,2-dihydroacenaphthylen-5-yl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 7544372
1,2-dihydroacenaphthylen-5-ylthiourea
CID 851719
4-(2,3-dichloro-N-methylsulfonylanilino)-N-(1,2-dihydroacenaphthylen-5-yl)butanamide
CID 100500998
N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-nitrophenyl)acetamide
CID 23875149
N-(1,2-dihydroacenaphthylen-5-yl)-4-(5-methyl-1,3-benzoxazol-2-yl)butanamide
CID 100510950
5-amino-N-(2-bromo-3-chlorophenyl)pentanamide
CID 103479361
2-(2,4-dichlorophenoxy)-N-(1,2-dihydroacenaphthylen-5-yl)acetamide
CID 3974459
N-(1,2-dihydroacenaphthylen-5-yl)-2-(naphthalen-1-ylmethylsulfonyl)acetamide
CID 100511475
N-(1,2-dihydroacenaphthylen-5-yl)-4-(N-methylsulfonyl-2-phenoxyanilino)butanamide
CID 100503541
(2S,5R)-5-(aminomethyl)-N-(1,2-dihydroacenaphthylen-5-yl)oxolane-2-carboxamide
CID 120785060

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(1,2-dihydroacenaphthylen-5-yl)heptanamide?
The IUPAC name of 7-amino-N-(1,2-dihydroacenaphthylen-5-yl)heptanamide (CID 119697802) is 7-amino-N-(1,2-dihydroacenaphthylen-5-yl)heptanamide.
What is the SMILES notation for 7-amino-N-(1,2-dihydroacenaphthylen-5-yl)heptanamide?
The canonical SMILES for 7-amino-N-(1,2-dihydroacenaphthylen-5-yl)heptanamide is NCCCCCCC(=O)Nc1ccc2c3c(cccc13)CC2.
What is the InChIKey of 7-amino-N-(1,2-dihydroacenaphthylen-5-yl)heptanamide?
The InChIKey is ANFKPKDLQCISTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c20-13-4-2-1-3-8-18(22)21-17-12-11-15-10-9-14-6-5-7-16(17)19(14)15/h5-7,11-12H,1-4,8-10,13,20H2,(H,21,22).
What are the key properties of 7-amino-N-(1,2-dihydroacenaphthylen-5-yl)heptanamide?
7-amino-N-(1,2-dihydroacenaphthylen-5-yl)heptanamide has a molecular weight of 296.41 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(1,2-dihydroacenaphthylen-5-yl)heptanamide is sourced from PubChem (CID 119697802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).