3-(2-tert-butylanilino)-N-(3-chloro-4-methoxyphenyl)propanamide

C20H25ClN2O2 — CID 109037309

IUPAC3-(2-tert-butylanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCNc2ccccc2C(C)(C)C)cc1Cl
InChIInChI=1S/C20H25ClN2O2/c1-20(2,3)15-7-5-6-8-17(15)22-12-11-19(24)23-14-9-10-18(25-4)16(21)13-14/h5-10,13,22H,11-12H2,1-4H3,(H,23,24)
InChIKeyRONHURNUWWDIKB-UHFFFAOYSA-N
MW360.89 g/mol
LogP5.09
Rot. Bonds6

About 3-(2-tert-butylanilino)-N-(3-chloro-4-methoxyphenyl)propanamide

3-(2-tert-butylanilino)-N-(3-chloro-4-methoxyphenyl)propanamide (PubChem CID 109037309) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is 3-(2-tert-butylanilino)-N-(3-chloro-4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(2-tert-butylanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
PubChem CID109037309
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC Name3-(2-tert-butylanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCNc2ccccc2C(C)(C)C)cc1Cl
InChIInChI=1S/C20H25ClN2O2/c1-20(2,3)15-7-5-6-8-17(15)22-12-11-19(24)23-14-9-10-18(25-4)16(21)13-14/h5-10,13,22H,11-12H2,1-4H3,(H,23,24)
InChIKeyRONHURNUWWDIKB-UHFFFAOYSA-N
XLogP5.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.89
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chloroanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 109037877
methyl 2-[[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]amino]benzoate
CID 109038974
ethyl 2-[[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]amino]benzoate
CID 109039007
N-(3-chloro-4-methoxyphenyl)-3-(2,4-dimethoxyanilino)propanamide
CID 109038965
N-(2-tert-butylphenyl)-3-(3,4-dimethoxyanilino)propanamide
CID 109037267
3-(4-chloro-2-methoxy-5-methylanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 109039005
N-(3-chloro-4-methoxyphenyl)-3-(3,4-dimethylanilino)propanamide
CID 109035530
N-(3-chloro-4-methoxyphenyl)-3-(3-chloro-4-methylanilino)propanamide
CID 109038668
3-(3-chloro-4-methoxyanilino)-N-(2-ethylphenyl)propanamide
CID 109036116
3-(2-tert-butylanilino)-N-(2-chlorophenyl)propanamide
CID 109037305
N-(3-chloro-4-methoxyphenyl)butanamide
CID 875969
N-(2-tert-butylphenyl)-3-(2,5-dimethoxyanilino)propanamide
CID 109037265

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butylanilino)-N-(3-chloro-4-methoxyphenyl)propanamide?
The IUPAC name of 3-(2-tert-butylanilino)-N-(3-chloro-4-methoxyphenyl)propanamide (CID 109037309) is 3-(2-tert-butylanilino)-N-(3-chloro-4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(2-tert-butylanilino)-N-(3-chloro-4-methoxyphenyl)propanamide?
The canonical SMILES for 3-(2-tert-butylanilino)-N-(3-chloro-4-methoxyphenyl)propanamide is COc1ccc(NC(=O)CCNc2ccccc2C(C)(C)C)cc1Cl.
What is the InChIKey of 3-(2-tert-butylanilino)-N-(3-chloro-4-methoxyphenyl)propanamide?
The InChIKey is RONHURNUWWDIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O2/c1-20(2,3)15-7-5-6-8-17(15)22-12-11-19(24)23-14-9-10-18(25-4)16(21)13-14/h5-10,13,22H,11-12H2,1-4H3,(H,23,24).
What are the key properties of 3-(2-tert-butylanilino)-N-(3-chloro-4-methoxyphenyl)propanamide?
3-(2-tert-butylanilino)-N-(3-chloro-4-methoxyphenyl)propanamide has a molecular weight of 360.89 g/mol, XLogP of 5.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butylanilino)-N-(3-chloro-4-methoxyphenyl)propanamide is sourced from PubChem (CID 109037309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).