2-amino-N-butyl-5-methoxy-N-phenylpentanamide

C16H26N2O2 — CID 81101701

IUPAC2-amino-N-butyl-5-methoxy-N-phenylpentanamide
SMILESCCCCN(C(=O)C(N)CCCOC)c1ccccc1
InChIInChI=1S/C16H26N2O2/c1-3-4-12-18(14-9-6-5-7-10-14)16(19)15(17)11-8-13-20-2/h5-7,9-10,15H,3-4,8,11-13,17H2,1-2H3
InChIKeyYHYFHYUGGNAMQQ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.57
Rot. Bonds9

About 2-amino-N-butyl-5-methoxy-N-phenylpentanamide

2-amino-N-butyl-5-methoxy-N-phenylpentanamide (PubChem CID 81101701) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-amino-N-butyl-5-methoxy-N-phenylpentanamide.

Molecular Properties

Compound Name2-amino-N-butyl-5-methoxy-N-phenylpentanamide
PubChem CID81101701
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-amino-N-butyl-5-methoxy-N-phenylpentanamide
SMILESCCCCN(C(=O)C(N)CCCOC)c1ccccc1
InChIInChI=1S/C16H26N2O2/c1-3-4-12-18(14-9-6-5-7-10-14)16(19)15(17)11-8-13-20-2/h5-7,9-10,15H,3-4,8,11-13,17H2,1-2H3
InChIKeyYHYFHYUGGNAMQQ-UHFFFAOYSA-N
XLogP2.57
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-butyl-N-phenylpentanamide
CID 107569866
4-(N-(2-amino-4-methoxybutanoyl)anilino)butanoic acid
CID 62473233
4-[N-(2-aminohexanoyl)anilino]butanoic acid
CID 61159735
4-[N-(2-aminopentanoyl)anilino]butanoic acid
CID 61162052
2-amino-N-ethyl-5-methoxy-N-(3-methylphenyl)pentanamide
CID 81088935
N-butyl-2-methyl-N-phenylpentanamide
CID 17256785
N-butyl-2,2-dichloro-N-phenylacetamide
CID 4539736
2-amino-5-methoxy-N-methyl-N-pentylpentanamide
CID 81082325
4-amino-N-butyl-N-phenylpentanamide
CID 64585388
4-(N-[(2S)-2-aminobutanoyl]anilino)butanoic acid
CID 79022828
diethyl 2-[2-(N-butylanilino)-2-oxoethyl]propanedioate
CID 135072362
N-(3-aminopropyl)-2-ethyl-N-phenylhexanamide
CID 43135930

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-butyl-5-methoxy-N-phenylpentanamide?
The IUPAC name of 2-amino-N-butyl-5-methoxy-N-phenylpentanamide (CID 81101701) is 2-amino-N-butyl-5-methoxy-N-phenylpentanamide.
What is the SMILES notation for 2-amino-N-butyl-5-methoxy-N-phenylpentanamide?
The canonical SMILES for 2-amino-N-butyl-5-methoxy-N-phenylpentanamide is CCCCN(C(=O)C(N)CCCOC)c1ccccc1.
What is the InChIKey of 2-amino-N-butyl-5-methoxy-N-phenylpentanamide?
The InChIKey is YHYFHYUGGNAMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-4-12-18(14-9-6-5-7-10-14)16(19)15(17)11-8-13-20-2/h5-7,9-10,15H,3-4,8,11-13,17H2,1-2H3.
What are the key properties of 2-amino-N-butyl-5-methoxy-N-phenylpentanamide?
2-amino-N-butyl-5-methoxy-N-phenylpentanamide has a molecular weight of 278.40 g/mol, XLogP of 2.57, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-butyl-5-methoxy-N-phenylpentanamide is sourced from PubChem (CID 81101701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).