3-amino-N-[(4-cyanophenyl)methyl]-2-methoxypropanamide

C12H15N3O2 — CID 106111827

IUPAC3-amino-N-[(4-cyanophenyl)methyl]-2-methoxypropanamide
SMILESCOC(CN)C(=O)NCc1ccc(C#N)cc1
InChIInChI=1S/C12H15N3O2/c1-17-11(7-14)12(16)15-8-10-4-2-9(6-13)3-5-10/h2-5,11H,7-8,14H2,1H3,(H,15,16)
InChIKeyDQAKSKLNBFDPHZ-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.15
Rot. Bonds5

About 3-amino-N-[(4-cyanophenyl)methyl]-2-methoxypropanamide

3-amino-N-[(4-cyanophenyl)methyl]-2-methoxypropanamide (PubChem CID 106111827) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-amino-N-[(4-cyanophenyl)methyl]-2-methoxypropanamide.

Molecular Properties

Compound Name3-amino-N-[(4-cyanophenyl)methyl]-2-methoxypropanamide
PubChem CID106111827
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-amino-N-[(4-cyanophenyl)methyl]-2-methoxypropanamide
SMILESCOC(CN)C(=O)NCc1ccc(C#N)cc1
InChIInChI=1S/C12H15N3O2/c1-17-11(7-14)12(16)15-8-10-4-2-9(6-13)3-5-10/h2-5,11H,7-8,14H2,1H3,(H,15,16)
InChIKeyDQAKSKLNBFDPHZ-UHFFFAOYSA-N
XLogP0.15
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(4-cyanophenyl)methyl]butanamide
CID 60918435
3-amino-2-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]propanamide
CID 106112443
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methoxypropanamide
CID 106111327
3-amino-N-[(4-cyanophenyl)methyl]-2-methoxy-N-methylpropanamide
CID 106112028
2-amino-N-[(4-cyanophenyl)methyl]acetamide
CID 60919000
(2S)-2-amino-N-[(4-cyanophenyl)methyl]-4-methylpentanamide
CID 61177955
3-amino-N-(2-bromo-4-cyanophenyl)-2-methoxypropanamide
CID 106111666
3-amino-N-[(2-hydroxyphenyl)methyl]-2-methoxypropanamide
CID 106113948
2-methylpropyl N-[(4-cyanophenyl)methyl]carbamate
CID 60755302
3-[[(3-amino-2-methoxypropanoyl)amino]methyl]benzoic acid
CID 114145034
2-(4-cyanophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 134055001
1-[(4-cyanophenyl)methyl]-3-propan-2-ylurea
CID 47216081

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-cyanophenyl)methyl]-2-methoxypropanamide?
The IUPAC name of 3-amino-N-[(4-cyanophenyl)methyl]-2-methoxypropanamide (CID 106111827) is 3-amino-N-[(4-cyanophenyl)methyl]-2-methoxypropanamide.
What is the SMILES notation for 3-amino-N-[(4-cyanophenyl)methyl]-2-methoxypropanamide?
The canonical SMILES for 3-amino-N-[(4-cyanophenyl)methyl]-2-methoxypropanamide is COC(CN)C(=O)NCc1ccc(C#N)cc1.
What is the InChIKey of 3-amino-N-[(4-cyanophenyl)methyl]-2-methoxypropanamide?
The InChIKey is DQAKSKLNBFDPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-17-11(7-14)12(16)15-8-10-4-2-9(6-13)3-5-10/h2-5,11H,7-8,14H2,1H3,(H,15,16).
What are the key properties of 3-amino-N-[(4-cyanophenyl)methyl]-2-methoxypropanamide?
3-amino-N-[(4-cyanophenyl)methyl]-2-methoxypropanamide has a molecular weight of 233.27 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-cyanophenyl)methyl]-2-methoxypropanamide is sourced from PubChem (CID 106111827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).