N-[4-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide

C20H30N2O3 — CID 109381149

IUPACN-[4-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)Cc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C20H30N2O3/c1-13(2)18(24)20(3,4)12-21-17(23)11-14-5-9-16(10-6-14)22-19(25)15-7-8-15/h5-6,9-10,13,15,18,24H,7-8,11-12H2,1-4H3,(H,21,23)(H,22,25)
InChIKeyRDAZSQOCFRDTQR-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.74
Rot. Bonds8

About N-[4-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide

N-[4-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide (PubChem CID 109381149) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[4-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide
PubChem CID109381149
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-[4-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)Cc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C20H30N2O3/c1-13(2)18(24)20(3,4)12-21-17(23)11-14-5-9-16(10-6-14)22-19(25)15-7-8-15/h5-6,9-10,13,15,18,24H,7-8,11-12H2,1-4H3,(H,21,23)(H,22,25)
InChIKeyRDAZSQOCFRDTQR-UHFFFAOYSA-N
XLogP2.74
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-[(3-hydroxy-4-methylpentyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide
CID 111470381
N-[4-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide
CID 111483440
N-[4-(4-hydroxypentanoylamino)phenyl]cyclopropanecarboxamide
CID 79193207
4-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide
CID 60847300
N-[4-(3-methylbutanoylamino)phenyl]cyclopropanecarboxamide
CID 17193989
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
N-(3-hydroxy-2,2,4-trimethylpentyl)-N'-phenyloxamide
CID 109380534
1-(3-hydroxy-2,2,4-trimethylpentyl)-3-(4-methoxyphenyl)urea
CID 109379511
N-[4-[[2-(propan-2-ylamino)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 61254791

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide (CID 109381149) is N-[4-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide is CC(C)C(O)C(C)(C)CNC(=O)Cc1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide?
The InChIKey is RDAZSQOCFRDTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-13(2)18(24)20(3,4)12-21-17(23)11-14-5-9-16(10-6-14)22-19(25)15-7-8-15/h5-6,9-10,13,15,18,24H,7-8,11-12H2,1-4H3,(H,21,23)(H,22,25).
What are the key properties of N-[4-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide?
N-[4-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide has a molecular weight of 346.47 g/mol, XLogP of 2.74, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 109381149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).