N-[4-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide

C18H26N2O3 — CID 111483440

IUPACN-[4-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide
SMILESCCC(O)(CC)CNC(=O)Cc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C18H26N2O3/c1-3-18(23,4-2)12-19-16(21)11-13-5-9-15(10-6-13)20-17(22)14-7-8-14/h5-6,9-10,14,23H,3-4,7-8,11-12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyDTVYLOHWPZZYFB-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.24
Rot. Bonds8

About N-[4-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide

N-[4-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide (PubChem CID 111483440) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[4-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide
PubChem CID111483440
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[4-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide
SMILESCCC(O)(CC)CNC(=O)Cc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C18H26N2O3/c1-3-18(23,4-2)12-19-16(21)11-13-5-9-15(10-6-13)20-17(22)14-7-8-14/h5-6,9-10,14,23H,3-4,7-8,11-12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyDTVYLOHWPZZYFB-UHFFFAOYSA-N
XLogP2.24
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[4-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide
CID 109381149
N-[4-[2-[(3-hydroxy-4-methylpentyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide
CID 111470381
4-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide
CID 60847300
N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]cyclobutanecarboxamide
CID 39231121
N-[4-[2-[(2-hydroxycyclopentyl)methylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide
CID 111471182
2-[[2-[4-(cyclohexanecarbonylamino)phenyl]acetyl]amino]acetic acid
CID 119224306
2-[[2-[4-(cyclooctanecarbonylamino)phenyl]acetyl]amino]acetic acid
CID 120523438
4-N-(4-methylphenyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148158
N-[4-(2-hydroxypropan-2-yl)phenyl]cyclopropanecarboxamide
CID 167978229
N-[4-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide
CID 120891329
N-[4-(2-bromobutyl)phenyl]cyclopropanecarboxamide
CID 82254939
N-[4-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 131894278

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide (CID 111483440) is N-[4-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide is CCC(O)(CC)CNC(=O)Cc1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide?
The InChIKey is DTVYLOHWPZZYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-3-18(23,4-2)12-19-16(21)11-13-5-9-15(10-6-13)20-17(22)14-7-8-14/h5-6,9-10,14,23H,3-4,7-8,11-12H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-[4-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide?
N-[4-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.24, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 111483440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).