N-[3-[(3-hydroxy-4-methylpentyl)amino]-3-oxopropyl]cyclohexanecarboxamide

C16H30N2O3 — CID 111461401

IUPACN-[3-[(3-hydroxy-4-methylpentyl)amino]-3-oxopropyl]cyclohexanecarboxamide
SMILESCC(C)C(O)CCNC(=O)CCNC(=O)C1CCCCC1
InChIInChI=1S/C16H30N2O3/c1-12(2)14(19)8-10-17-15(20)9-11-18-16(21)13-6-4-3-5-7-13/h12-14,19H,3-11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyFMWHJENELJFGCQ-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.60
Rot. Bonds8

About N-[3-[(3-hydroxy-4-methylpentyl)amino]-3-oxopropyl]cyclohexanecarboxamide

N-[3-[(3-hydroxy-4-methylpentyl)amino]-3-oxopropyl]cyclohexanecarboxamide (PubChem CID 111461401) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-[3-[(3-hydroxy-4-methylpentyl)amino]-3-oxopropyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-[(3-hydroxy-4-methylpentyl)amino]-3-oxopropyl]cyclohexanecarboxamide
PubChem CID111461401
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC NameN-[3-[(3-hydroxy-4-methylpentyl)amino]-3-oxopropyl]cyclohexanecarboxamide
SMILESCC(C)C(O)CCNC(=O)CCNC(=O)C1CCCCC1
InChIInChI=1S/C16H30N2O3/c1-12(2)14(19)8-10-17-15(20)9-11-18-16(21)13-6-4-3-5-7-13/h12-14,19H,3-11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyFMWHJENELJFGCQ-UHFFFAOYSA-N
XLogP1.60
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(3-hydroxy-4-methylpentyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide
CID 111460537
N-[3-(2-hydroxypropylamino)-3-oxopropyl]cyclopentanecarboxamide
CID 43428011
N-(3-hydroxy-4-methylpentyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 111540255
N-[3-[(2-hydroxy-4-methylpentyl)amino]-3-oxopropyl]cyclopentanecarboxamide
CID 103771616
3-[3-(cyclopentanecarbonylamino)propanoylamino]-2-methylpropanoic acid
CID 55105354
N-[2-(3-methylbutylamino)-2-oxoethyl]cyclohexanecarboxamide
CID 112995138
2-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methylbutanoic acid
CID 43354069
N-[3-(3-cyclohexylpropylamino)-3-oxopropyl]cyclohexanecarboxamide
CID 86877893
4-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methylbutanoic acid
CID 81062987
N-(3-hydroxy-4-methylpentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 111461165
N-(3-hydroxy-4-methylpentyl)-1-(2-methylbutanoyl)piperidine-3-carboxamide
CID 111460809
(2S)-4-(cycloheptanecarbonylamino)-2-hydroxybutanoic acid
CID 107834810

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-hydroxy-4-methylpentyl)amino]-3-oxopropyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-[(3-hydroxy-4-methylpentyl)amino]-3-oxopropyl]cyclohexanecarboxamide (CID 111461401) is N-[3-[(3-hydroxy-4-methylpentyl)amino]-3-oxopropyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-[(3-hydroxy-4-methylpentyl)amino]-3-oxopropyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-[(3-hydroxy-4-methylpentyl)amino]-3-oxopropyl]cyclohexanecarboxamide is CC(C)C(O)CCNC(=O)CCNC(=O)C1CCCCC1.
What is the InChIKey of N-[3-[(3-hydroxy-4-methylpentyl)amino]-3-oxopropyl]cyclohexanecarboxamide?
The InChIKey is FMWHJENELJFGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-12(2)14(19)8-10-17-15(20)9-11-18-16(21)13-6-4-3-5-7-13/h12-14,19H,3-11H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-[3-[(3-hydroxy-4-methylpentyl)amino]-3-oxopropyl]cyclohexanecarboxamide?
N-[3-[(3-hydroxy-4-methylpentyl)amino]-3-oxopropyl]cyclohexanecarboxamide has a molecular weight of 298.43 g/mol, XLogP of 1.60, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-hydroxy-4-methylpentyl)amino]-3-oxopropyl]cyclohexanecarboxamide is sourced from PubChem (CID 111461401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).