4-amino-N-phenyldodecanamide

C18H30N2O — CID 154099763

IUPAC4-amino-N-phenyldodecanamide
SMILESCCCCCCCCC(N)CCC(=O)Nc1ccccc1
InChIInChI=1S/C18H30N2O/c1-2-3-4-5-6-8-11-16(19)14-15-18(21)20-17-12-9-7-10-13-17/h7,9-10,12-13,16H,2-6,8,11,14-15,19H2,1H3,(H,20,21)
InChIKeyAVDBPANLAUIUET-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.48
Rot. Bonds11

About 4-amino-N-phenyldodecanamide

4-amino-N-phenyldodecanamide (PubChem CID 154099763) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 4-amino-N-phenyldodecanamide.

Molecular Properties

Compound Name4-amino-N-phenyldodecanamide
PubChem CID154099763
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name4-amino-N-phenyldodecanamide
SMILESCCCCCCCCC(N)CCC(=O)Nc1ccccc1
InChIInChI=1S/C18H30N2O/c1-2-3-4-5-6-8-11-16(19)14-15-18(21)20-17-12-9-7-10-13-17/h7,9-10,12-13,16H,2-6,8,11,14-15,19H2,1H3,(H,20,21)
InChIKeyAVDBPANLAUIUET-UHFFFAOYSA-N
XLogP4.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.48
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-phenylpentacosanamide
CID 19025260
N-phenylheptatetracontanamide
CID 150503307
3-pentyl-N-phenylnonanamide
CID 155185761
formamide;N-phenylheptanamide
CID 143464966
N-hydroxy-2-pentyl-N'-phenyloctanediamide
CID 134143927
5-oxo-N-phenylheptadecanamide
CID 3308902
(Z)-N-phenyloctadec-9-enamide
CID 5354590
N-phenyldocos-13-enamide
CID 54224492
methyl (2S)-2-amino-8-anilino-8-oxooctanoate
CID 140522096
N-[4-(1-aminoethyl)phenyl]nonanamide
CID 65449674
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
4-(dodecanoylamino)-N-phenylbenzamide
CID 5109500

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-phenyldodecanamide?
The IUPAC name of 4-amino-N-phenyldodecanamide (CID 154099763) is 4-amino-N-phenyldodecanamide.
What is the SMILES notation for 4-amino-N-phenyldodecanamide?
The canonical SMILES for 4-amino-N-phenyldodecanamide is CCCCCCCCC(N)CCC(=O)Nc1ccccc1.
What is the InChIKey of 4-amino-N-phenyldodecanamide?
The InChIKey is AVDBPANLAUIUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-2-3-4-5-6-8-11-16(19)14-15-18(21)20-17-12-9-7-10-13-17/h7,9-10,12-13,16H,2-6,8,11,14-15,19H2,1H3,(H,20,21).
What are the key properties of 4-amino-N-phenyldodecanamide?
4-amino-N-phenyldodecanamide has a molecular weight of 290.45 g/mol, XLogP of 4.48, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-phenyldodecanamide is sourced from PubChem (CID 154099763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).