4-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]butanamide

C16H24N2O — CID 54870516

IUPAC4-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]butanamide
SMILESCCc1ccc(CN(C(=O)CCCN)C2CC2)cc1
InChIInChI=1S/C16H24N2O/c1-2-13-5-7-14(8-6-13)12-18(15-9-10-15)16(19)4-3-11-17/h5-8,15H,2-4,9-12,17H2,1H3
InChIKeyDYWXXQSXKNIULF-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.48
Rot. Bonds7

About 4-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]butanamide

4-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]butanamide (PubChem CID 54870516) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]butanamide
PubChem CID54870516
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name4-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]butanamide
SMILESCCc1ccc(CN(C(=O)CCCN)C2CC2)cc1
InChIInChI=1S/C16H24N2O/c1-2-13-5-7-14(8-6-13)12-18(15-9-10-15)16(19)4-3-11-17/h5-8,15H,2-4,9-12,17H2,1H3
InChIKeyDYWXXQSXKNIULF-UHFFFAOYSA-N
XLogP2.48
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]butanamide
CID 54869898
6-amino-N-benzyl-N-cyclopropylhexanamide
CID 43579228
N-[(4-aminophenyl)methyl]-N-cyclopropyloctanamide
CID 43460515
3-(2-aminophenyl)-N-cyclopropyl-N-[(4-ethylphenyl)methyl]propanamide
CID 120608816
3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 39350832
4-amino-N-cyclopropyl-N-(pyridin-3-ylmethyl)butanamide
CID 54869888
N-(3-aminopropyl)-N-cyclopropyl-4-ethylbenzamide
CID 43136724
7-amino-N-benzyl-N-cyclohexylheptanamide
CID 119729560
2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3,3-dimethylbutanamide
CID 76895226
4-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 54869271
(2S)-2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3,3-dimethylbutanamide
CID 61165442
N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 87024531

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]butanamide?
The IUPAC name of 4-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]butanamide (CID 54870516) is 4-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]butanamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]butanamide?
The canonical SMILES for 4-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]butanamide is CCc1ccc(CN(C(=O)CCCN)C2CC2)cc1.
What is the InChIKey of 4-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]butanamide?
The InChIKey is DYWXXQSXKNIULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-13-5-7-14(8-6-13)12-18(15-9-10-15)16(19)4-3-11-17/h5-8,15H,2-4,9-12,17H2,1H3.
What are the key properties of 4-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]butanamide?
4-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]butanamide has a molecular weight of 260.38 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]butanamide is sourced from PubChem (CID 54870516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).