3-amino-N-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpropanamide

C12H17ClN2O2 — CID 115153476

IUPAC3-amino-N-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpropanamide
SMILESCOc1cc(C)c(Cl)cc1NC(=O)C(C)CN
InChIInChI=1S/C12H17ClN2O2/c1-7-4-11(17-3)10(5-9(7)13)15-12(16)8(2)6-14/h4-5,8H,6,14H2,1-3H3,(H,15,16)
InChIKeyQCNHODQWQKTLHU-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.19
Rot. Bonds4

About 3-amino-N-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpropanamide

3-amino-N-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpropanamide (PubChem CID 115153476) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 3-amino-N-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpropanamide
PubChem CID115153476
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name3-amino-N-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpropanamide
SMILESCOc1cc(C)c(Cl)cc1NC(=O)C(C)CN
InChIInChI=1S/C12H17ClN2O2/c1-7-4-11(17-3)10(5-9(7)13)15-12(16)8(2)6-14/h4-5,8H,6,14H2,1-3H3,(H,15,16)
InChIKeyQCNHODQWQKTLHU-UHFFFAOYSA-N
XLogP2.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylpentanamide
CID 104683435
(2R)-2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 41192472
2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 107902832
3-amino-N-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylpropanamide
CID 115153528
N-(4-chloro-2,5-dimethoxyphenyl)-2-methylpentanamide
CID 2903868
2-[(5-chloro-2-methoxy-4-methylphenyl)carbamoylamino]acetic acid
CID 82502059
(2R)-2-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide
CID 103928289
4-amino-N-(2,5-dichloro-4-methylphenyl)-2-methylbutanamide
CID 104727116
(2S,3S)-2-amino-N-(5-chloro-2,4-dimethoxyphenyl)-3-methylpentanamide
CID 28515111
2-(aminomethyl)-N-(4-chloro-2,5-dimethoxyphenyl)-3-methylbutanamide
CID 65225475
N-(5-acetamido-2-methoxyphenyl)-3-amino-2-methylpropanamide
CID 62671021
N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyclopropylpropanamide
CID 110428070

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpropanamide?
The IUPAC name of 3-amino-N-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpropanamide (CID 115153476) is 3-amino-N-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpropanamide?
The canonical SMILES for 3-amino-N-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpropanamide is COc1cc(C)c(Cl)cc1NC(=O)C(C)CN.
What is the InChIKey of 3-amino-N-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpropanamide?
The InChIKey is QCNHODQWQKTLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-7-4-11(17-3)10(5-9(7)13)15-12(16)8(2)6-14/h4-5,8H,6,14H2,1-3H3,(H,15,16).
What are the key properties of 3-amino-N-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpropanamide?
3-amino-N-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpropanamide has a molecular weight of 256.73 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpropanamide is sourced from PubChem (CID 115153476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).