4-amino-N-cyclopropyl-3-(4-methoxyphenyl)butanamide

C14H20N2O2 — CID 112511397

IUPAC4-amino-N-cyclopropyl-3-(4-methoxyphenyl)butanamide
SMILESCOc1ccc(C(CN)CC(=O)NC2CC2)cc1
InChIInChI=1S/C14H20N2O2/c1-18-13-6-2-10(3-7-13)11(9-15)8-14(17)16-12-4-5-12/h2-3,6-7,11-12H,4-5,8-9,15H2,1H3,(H,16,17)
InChIKeyUAABYDMASWYJQU-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.41
Rot. Bonds6

About 4-amino-N-cyclopropyl-3-(4-methoxyphenyl)butanamide

4-amino-N-cyclopropyl-3-(4-methoxyphenyl)butanamide (PubChem CID 112511397) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-3-(4-methoxyphenyl)butanamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-3-(4-methoxyphenyl)butanamide
PubChem CID112511397
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-amino-N-cyclopropyl-3-(4-methoxyphenyl)butanamide
SMILESCOc1ccc(C(CN)CC(=O)NC2CC2)cc1
InChIInChI=1S/C14H20N2O2/c1-18-13-6-2-10(3-7-13)11(9-15)8-14(17)16-12-4-5-12/h2-3,6-7,11-12H,4-5,8-9,15H2,1H3,(H,16,17)
InChIKeyUAABYDMASWYJQU-UHFFFAOYSA-N
XLogP1.41
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminocyclohexyl)-3-(4-methoxyphenyl)butanamide;hydrochloride
CID 119477343
3-amino-N-cyclopropyl-3-(4-ethoxyphenyl)propanamide
CID 112508678
2-(4-methoxyphenyl)propane-1,3-diamine
CID 20546608
(3R)-3-acetamido-N-cyclooctyl-3-(4-methoxyphenyl)propanamide
CID 51622723
(3R)-N-(1,1-dioxothian-4-yl)-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 97280000
2-[(3-amino-2-phenylpropyl)-methylamino]-N-cyclopropylacetamide
CID 43575619
(2S)-3-amino-2-(4-methoxyphenyl)propan-1-ol
CID 46911827
3-amino-2-(4-methoxyphenyl)propan-1-ol
CID 75251632
N-cyclopropyl-1-(4-methoxyphenyl)ethane-1,2-diamine
CID 62070325
N-[4-(ethylamino)cyclohexyl]-2-(4-methoxyphenyl)acetamide
CID 43653285
N-(4-hydroxycyclohexyl)-3-(4-methylphenyl)pentanamide
CID 111435900
N-(4-hydroxycyclohexyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 17472289

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-3-(4-methoxyphenyl)butanamide?
The IUPAC name of 4-amino-N-cyclopropyl-3-(4-methoxyphenyl)butanamide (CID 112511397) is 4-amino-N-cyclopropyl-3-(4-methoxyphenyl)butanamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-3-(4-methoxyphenyl)butanamide?
The canonical SMILES for 4-amino-N-cyclopropyl-3-(4-methoxyphenyl)butanamide is COc1ccc(C(CN)CC(=O)NC2CC2)cc1.
What is the InChIKey of 4-amino-N-cyclopropyl-3-(4-methoxyphenyl)butanamide?
The InChIKey is UAABYDMASWYJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-18-13-6-2-10(3-7-13)11(9-15)8-14(17)16-12-4-5-12/h2-3,6-7,11-12H,4-5,8-9,15H2,1H3,(H,16,17).
What are the key properties of 4-amino-N-cyclopropyl-3-(4-methoxyphenyl)butanamide?
4-amino-N-cyclopropyl-3-(4-methoxyphenyl)butanamide has a molecular weight of 248.33 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-3-(4-methoxyphenyl)butanamide is sourced from PubChem (CID 112511397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).