N-(2-methyl-4-propoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide

C21H26N2O3 — CID 55904755

IUPACN-(2-methyl-4-propoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide
SMILESCCCOc1ccc(NC(=O)CCNC(=O)Cc2ccccc2)c(C)c1
InChIInChI=1S/C21H26N2O3/c1-3-13-26-18-9-10-19(16(2)14-18)23-20(24)11-12-22-21(25)15-17-7-5-4-6-8-17/h4-10,14H,3,11-13,15H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyVDQDCQPOQWKQQU-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.47
Rot. Bonds9

About N-(2-methyl-4-propoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide

N-(2-methyl-4-propoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide (PubChem CID 55904755) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(2-methyl-4-propoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-methyl-4-propoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide
PubChem CID55904755
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-(2-methyl-4-propoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide
SMILESCCCOc1ccc(NC(=O)CCNC(=O)Cc2ccccc2)c(C)c1
InChIInChI=1S/C21H26N2O3/c1-3-13-26-18-9-10-19(16(2)14-18)23-20(24)11-12-22-21(25)15-17-7-5-4-6-8-17/h4-10,14H,3,11-13,15H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyVDQDCQPOQWKQQU-UHFFFAOYSA-N
XLogP3.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-4-propoxyphenyl)carbamic acid
CID 118108315
4-[3-(2-methyl-4-propoxyanilino)-3-oxopropyl]benzoic acid
CID 119181908
3-amino-N-(4-butoxy-2-methylphenyl)propanamide
CID 39353448
4-amino-N-(2-methyl-4-propoxyphenyl)pentanamide
CID 120560885
3-hydroxy-N-(2-methyl-4-propoxyphenyl)-3-phenylbutanamide
CID 110024948
1-(2-hydroxyethyl)-3-(2-methyl-4-propoxyphenyl)urea
CID 47326596
3-amino-N-(2-methyl-4-propoxyphenyl)-3-phenylpropanamide
CID 119950312
2-(3,4-dichlorophenyl)-N-(2-methyl-4-propoxyphenyl)acetamide
CID 60540563
3-(2-aminophenyl)-N-(4-butoxy-2-methylphenyl)propanamide
CID 120609491
2-[4-(butanoylamino)-3-methylphenoxy]acetic acid
CID 119231512
3-(3,4-dimethylphenoxy)-N-(2-ethylphenyl)propanamide
CID 39992819
3-amino-N-(2-methyl-4-propoxyphenyl)butanamide;hydrochloride
CID 119739467

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-propoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide?
The IUPAC name of N-(2-methyl-4-propoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide (CID 55904755) is N-(2-methyl-4-propoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide.
What is the SMILES notation for N-(2-methyl-4-propoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide?
The canonical SMILES for N-(2-methyl-4-propoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide is CCCOc1ccc(NC(=O)CCNC(=O)Cc2ccccc2)c(C)c1.
What is the InChIKey of N-(2-methyl-4-propoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide?
The InChIKey is VDQDCQPOQWKQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-3-13-26-18-9-10-19(16(2)14-18)23-20(24)11-12-22-21(25)15-17-7-5-4-6-8-17/h4-10,14H,3,11-13,15H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-(2-methyl-4-propoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide?
N-(2-methyl-4-propoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide has a molecular weight of 354.45 g/mol, XLogP of 3.47, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-propoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide is sourced from PubChem (CID 55904755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).