N-(2-aminoethyl)-N-butyl-4-phenylbutanamide

C16H26N2O — CID 63754072

IUPACN-(2-aminoethyl)-N-butyl-4-phenylbutanamide
SMILESCCCCN(CCN)C(=O)CCCc1ccccc1
InChIInChI=1S/C16H26N2O/c1-2-3-13-18(14-12-17)16(19)11-7-10-15-8-5-4-6-9-15/h4-6,8-9H,2-3,7,10-14,17H2,1H3
InChIKeyVQSSIZHZUKIUSM-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.60
Rot. Bonds9

About N-(2-aminoethyl)-N-butyl-4-phenylbutanamide

N-(2-aminoethyl)-N-butyl-4-phenylbutanamide (PubChem CID 63754072) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-butyl-4-phenylbutanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-butyl-4-phenylbutanamide
PubChem CID63754072
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-(2-aminoethyl)-N-butyl-4-phenylbutanamide
SMILESCCCCN(CCN)C(=O)CCCc1ccccc1
InChIInChI=1S/C16H26N2O/c1-2-3-13-18(14-12-17)16(19)11-7-10-15-8-5-4-6-9-15/h4-6,8-9H,2-3,7,10-14,17H2,1H3
InChIKeyVQSSIZHZUKIUSM-UHFFFAOYSA-N
XLogP2.60
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-3-phenyl-N-propylpropanamide
CID 61348391
N,N-dihexyl-3-phenylpropanamide
CID 532921
N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884412
N-(3-aminopropyl)-N-benzylhexanamide
CID 107366146
N-(2-bromoethyl)-4-phenyl-N-propylbutanamide
CID 80660803
N-(2-aminoethyl)-N-butylheptanamide
CID 114754100
N-ethyl-N-(3-hydroxypropyl)-4-phenylbutanamide
CID 115772082
N-benzyl-N-(2-phenylethyl)pentanamide
CID 112791262
N-(2-aminoethyl)-3-methoxy-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886289
N-(2-aminoethyl)-4,4-dimethyl-N-(2-phenylethyl)pentanamide
CID 120886564
4-amino-N-benzyl-N-propylbutanamide
CID 43588666
N-dodecyl-N-ethyl-3-phenylpropanamide
CID 91693976

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-butyl-4-phenylbutanamide?
The IUPAC name of N-(2-aminoethyl)-N-butyl-4-phenylbutanamide (CID 63754072) is N-(2-aminoethyl)-N-butyl-4-phenylbutanamide.
What is the SMILES notation for N-(2-aminoethyl)-N-butyl-4-phenylbutanamide?
The canonical SMILES for N-(2-aminoethyl)-N-butyl-4-phenylbutanamide is CCCCN(CCN)C(=O)CCCc1ccccc1.
What is the InChIKey of N-(2-aminoethyl)-N-butyl-4-phenylbutanamide?
The InChIKey is VQSSIZHZUKIUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-2-3-13-18(14-12-17)16(19)11-7-10-15-8-5-4-6-9-15/h4-6,8-9H,2-3,7,10-14,17H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-butyl-4-phenylbutanamide?
N-(2-aminoethyl)-N-butyl-4-phenylbutanamide has a molecular weight of 262.40 g/mol, XLogP of 2.60, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-butyl-4-phenylbutanamide is sourced from PubChem (CID 63754072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).