N-(3-acetamidophenyl)-3-(ethylamino)-2-methylpropanamide

C14H21N3O2 — CID 62851264

IUPACN-(3-acetamidophenyl)-3-(ethylamino)-2-methylpropanamide
SMILESCCNCC(C)C(=O)Nc1cccc(NC(C)=O)c1
InChIInChI=1S/C14H21N3O2/c1-4-15-9-10(2)14(19)17-13-7-5-6-12(8-13)16-11(3)18/h5-8,10,15H,4,9H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyKIMMWDORQAMPBW-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.83
Rot. Bonds6

About N-(3-acetamidophenyl)-3-(ethylamino)-2-methylpropanamide

N-(3-acetamidophenyl)-3-(ethylamino)-2-methylpropanamide (PubChem CID 62851264) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-3-(ethylamino)-2-methylpropanamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-3-(ethylamino)-2-methylpropanamide
PubChem CID62851264
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-(3-acetamidophenyl)-3-(ethylamino)-2-methylpropanamide
SMILESCCNCC(C)C(=O)Nc1cccc(NC(C)=O)c1
InChIInChI=1S/C14H21N3O2/c1-4-15-9-10(2)14(19)17-13-7-5-6-12(8-13)16-11(3)18/h5-8,10,15H,4,9H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyKIMMWDORQAMPBW-UHFFFAOYSA-N
XLogP1.83
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-3-chloro-2-methylpropanamide
CID 62728455
N-[1-(3-acetamidophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide
CID 62851861
3-[[3-(ethylamino)-2-methylpropanoyl]amino]benzoic acid
CID 62852213
N-(5-acetamido-2-methylphenyl)-3-(ethylamino)-2-methylpropanamide
CID 62853430
N-(3-cyanophenyl)-3-(ethylamino)-2-methylpropanamide
CID 62853412
3-(ethylamino)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 62853406
2-[3-[[3-(ethylamino)-2-methylpropanoyl]amino]phenoxy]acetic acid
CID 63771678
N-(3,4-dimethylphenyl)-3-(ethylamino)-2-methylpropanamide
CID 62852690
N-(3-acetamidophenyl)-2-aminopropanamide
CID 24711020
N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
3-(ethylamino)-2-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 62838743
N-(3,4-dimethoxyphenyl)-3-(ethylamino)-2-methylpropanamide
CID 55123166

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-3-(ethylamino)-2-methylpropanamide?
The IUPAC name of N-(3-acetamidophenyl)-3-(ethylamino)-2-methylpropanamide (CID 62851264) is N-(3-acetamidophenyl)-3-(ethylamino)-2-methylpropanamide.
What is the SMILES notation for N-(3-acetamidophenyl)-3-(ethylamino)-2-methylpropanamide?
The canonical SMILES for N-(3-acetamidophenyl)-3-(ethylamino)-2-methylpropanamide is CCNCC(C)C(=O)Nc1cccc(NC(C)=O)c1.
What is the InChIKey of N-(3-acetamidophenyl)-3-(ethylamino)-2-methylpropanamide?
The InChIKey is KIMMWDORQAMPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-4-15-9-10(2)14(19)17-13-7-5-6-12(8-13)16-11(3)18/h5-8,10,15H,4,9H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of N-(3-acetamidophenyl)-3-(ethylamino)-2-methylpropanamide?
N-(3-acetamidophenyl)-3-(ethylamino)-2-methylpropanamide has a molecular weight of 263.34 g/mol, XLogP of 1.83, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-3-(ethylamino)-2-methylpropanamide is sourced from PubChem (CID 62851264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).