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

C18H26N2O3 — CID 111470381

IUPACN-[4-[2-[(3-hydroxy-4-methylpentyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide
SMILESCC(C)C(O)CCNC(=O)Cc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C18H26N2O3/c1-12(2)16(21)9-10-19-17(22)11-13-3-7-15(8-4-13)20-18(23)14-5-6-14/h3-4,7-8,12,14,16,21H,5-6,9-11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyJQRRBUKHWFQRPX-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.10
Rot. Bonds8

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

N-[4-[2-[(3-hydroxy-4-methylpentyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide (PubChem CID 111470381) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[4-[2-[(3-hydroxy-4-methylpentyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-[(3-hydroxy-4-methylpentyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide
PubChem CID111470381
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[4-[2-[(3-hydroxy-4-methylpentyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide
SMILESCC(C)C(O)CCNC(=O)Cc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C18H26N2O3/c1-12(2)16(21)9-10-19-17(22)11-13-3-7-15(8-4-13)20-18(23)14-5-6-14/h3-4,7-8,12,14,16,21H,5-6,9-11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyJQRRBUKHWFQRPX-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide
CID 109381149
3-(cyclopropanecarbonylamino)-N-(3-hydroxy-4-methylpentyl)benzamide
CID 111460763
N-[4-(4-hydroxypentanoylamino)phenyl]cyclopropanecarboxamide
CID 79193207
N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]cyclobutanecarboxamide
CID 39231121
N-[4-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide
CID 111483440
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-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-[4-[[2-(propan-2-ylamino)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 61254791
ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(3-hydroxy-4-methylpentyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[2-[(3-hydroxy-4-methylpentyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide (CID 111470381) is N-[4-[2-[(3-hydroxy-4-methylpentyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[2-[(3-hydroxy-4-methylpentyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[2-[(3-hydroxy-4-methylpentyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide is CC(C)C(O)CCNC(=O)Cc1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[2-[(3-hydroxy-4-methylpentyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide?
The InChIKey is JQRRBUKHWFQRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-12(2)16(21)9-10-19-17(22)11-13-3-7-15(8-4-13)20-18(23)14-5-6-14/h3-4,7-8,12,14,16,21H,5-6,9-11H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-[4-[2-[(3-hydroxy-4-methylpentyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide?
N-[4-[2-[(3-hydroxy-4-methylpentyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.10, 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-4-methylpentyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 111470381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).