N-[1-(3-acetamidophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide

C16H25N3O2 — CID 62851861

IUPACN-[1-(3-acetamidophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide
SMILESCCNCC(C)C(=O)NC(C)c1cccc(NC(C)=O)c1
InChIInChI=1S/C16H25N3O2/c1-5-17-10-11(2)16(21)18-12(3)14-7-6-8-15(9-14)19-13(4)20/h6-9,11-12,17H,5,10H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyVLSJYHYMADUREF-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.07
Rot. Bonds7

About N-[1-(3-acetamidophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide

N-[1-(3-acetamidophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide (PubChem CID 62851861) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-[1-(3-acetamidophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(3-acetamidophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide
PubChem CID62851861
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN-[1-(3-acetamidophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide
SMILESCCNCC(C)C(=O)NC(C)c1cccc(NC(C)=O)c1
InChIInChI=1S/C16H25N3O2/c1-5-17-10-11(2)16(21)18-12(3)14-7-6-8-15(9-14)19-13(4)20/h6-9,11-12,17H,5,10H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyVLSJYHYMADUREF-UHFFFAOYSA-N
XLogP2.07
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-3-(ethylamino)-2-methylpropanamide
CID 62851264
N-[1-(3-acetamidophenyl)ethyl]-2-aminopropanamide
CID 54880242
(2S)-N-[1-(3-acetamidophenyl)ethyl]-2-aminobutanamide;hydrochloride
CID 119282390
N-[1-(3-acetamidophenyl)ethyl]-2-(methylamino)propanamide
CID 62638247
N-[1-(3-acetamidophenyl)ethyl]-2-aminopentanamide
CID 60981763
N-[1-(3-acetamidophenyl)ethyl]-3-oxobutanamide
CID 54880254
N-[1-(3-acetamidophenyl)ethyl]-2-aminobutanediamide
CID 60980162
N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylbutanamide
CID 43507836
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylpropanamide
CID 43507815
2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]butanamide
CID 43507778
3-(ethylamino)-2-methyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide
CID 81404636

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide?
The IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide (CID 62851861) is N-[1-(3-acetamidophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide.
What is the SMILES notation for N-[1-(3-acetamidophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide?
The canonical SMILES for N-[1-(3-acetamidophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide is CCNCC(C)C(=O)NC(C)c1cccc(NC(C)=O)c1.
What is the InChIKey of N-[1-(3-acetamidophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide?
The InChIKey is VLSJYHYMADUREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-5-17-10-11(2)16(21)18-12(3)14-7-6-8-15(9-14)19-13(4)20/h6-9,11-12,17H,5,10H2,1-4H3,(H,18,21)(H,19,20).
What are the key properties of N-[1-(3-acetamidophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide?
N-[1-(3-acetamidophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide has a molecular weight of 291.40 g/mol, XLogP of 2.07, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-acetamidophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide is sourced from PubChem (CID 62851861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).