N-[3-[[[(1R,3S)-3-cyclopropylcyclohexyl]carbamoylamino]methyl]phenyl]cyclohexanecarboxamide

C24H35N3O2 — CID 167928606

IUPACN-[3-[[[(1R,3S)-3-cyclopropylcyclohexyl]carbamoylamino]methyl]phenyl]cyclohexanecarboxamide
SMILESO=C(NCc1cccc(NC(=O)C2CCCCC2)c1)N[C@@H]1CCC[C@H](C2CC2)C1
InChIInChI=1S/C24H35N3O2/c28-23(19-7-2-1-3-8-19)26-21-10-4-6-17(14-21)16-25-24(29)27-22-11-5-9-20(15-22)18-12-13-18/h4,6,10,14,18-20,22H,1-3,5,7-9,11-13,15-16H2,(H,26,28)(H2,25,27,29)/t20-,22+/m0/s1
InChIKeyJDHLYDJEUURONY-RBBKRZOGSA-N
MW397.56 g/mol
LogP4.97
Rot. Bonds6

About N-[3-[[[(1R,3S)-3-cyclopropylcyclohexyl]carbamoylamino]methyl]phenyl]cyclohexanecarboxamide

N-[3-[[[(1R,3S)-3-cyclopropylcyclohexyl]carbamoylamino]methyl]phenyl]cyclohexanecarboxamide (PubChem CID 167928606) has the molecular formula C24H35N3O2 and a molecular weight of 397.56 g/mol. Its IUPAC name is N-[3-[[[(1R,3S)-3-cyclopropylcyclohexyl]carbamoylamino]methyl]phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-[[[(1R,3S)-3-cyclopropylcyclohexyl]carbamoylamino]methyl]phenyl]cyclohexanecarboxamide
PubChem CID167928606
Molecular FormulaC24H35N3O2
Molecular Weight397.56 g/mol
Exact Mass397.27
IUPAC NameN-[3-[[[(1R,3S)-3-cyclopropylcyclohexyl]carbamoylamino]methyl]phenyl]cyclohexanecarboxamide
SMILESO=C(NCc1cccc(NC(=O)C2CCCCC2)c1)N[C@@H]1CCC[C@H](C2CC2)C1
InChIInChI=1S/C24H35N3O2/c28-23(19-7-2-1-3-8-19)26-21-10-4-6-17(14-21)16-25-24(29)27-22-11-5-9-20(15-22)18-12-13-18/h4,6,10,14,18-20,22H,1-3,5,7-9,11-13,15-16H2,(H,26,28)(H2,25,27,29)/t20-,22+/m0/s1
InChIKeyJDHLYDJEUURONY-RBBKRZOGSA-N
XLogP4.97
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.56
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze N-[3-[[[(1R,3S)-3-cyclopropylcyclohexyl]carbamoylamino]methyl]phenyl]cyclohexanecarboxamide with MolForge

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Related Compounds

N-[3-[[[(3S)-1,1-dioxothian-3-yl]carbamoylamino]methyl]phenyl]cyclobutanecarboxamide
CID 97306095
N-[3-[[[(1R,2S)-2-cyclopropylcyclopropanecarbonyl]amino]methyl]phenyl]cyclobutanecarboxamide
CID 97011516
9-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120985547
N-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]cyclobutanecarboxamide
CID 119710727
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119299314
2-[3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonylamino)phenyl]acetic acid
CID 120530686
N-[3-(chloromethyl)phenyl]cyclooctanecarboxamide
CID 114293358
N-[(3-acetamidophenyl)methyl]-3-(cyclohexanecarbonylamino)benzamide
CID 39575427
N-[3-[[[N-(3-ethylsulfinylcyclohexyl)-N'-methylcarbamimidoyl]amino]methyl]phenyl]cyclopentanecarboxamide;hydroiodide
CID 109437546
N-[3-[[[(2S)-2-aminopropanoyl]amino]methyl]phenyl]cyclobutanecarboxamide
CID 119282339
N-[3-[[[amino-(cyclohexylamino)methylidene]amino]methyl]phenyl]cyclobutanecarboxamide;hydroiodide
CID 111046818
N-[3-[[[2-(4-aminophenyl)acetyl]amino]methyl]phenyl]cyclohexanecarboxamide;hydrochloride
CID 119738924

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[(1R,3S)-3-cyclopropylcyclohexyl]carbamoylamino]methyl]phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-[[[(1R,3S)-3-cyclopropylcyclohexyl]carbamoylamino]methyl]phenyl]cyclohexanecarboxamide (CID 167928606) is N-[3-[[[(1R,3S)-3-cyclopropylcyclohexyl]carbamoylamino]methyl]phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-[[[(1R,3S)-3-cyclopropylcyclohexyl]carbamoylamino]methyl]phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-[[[(1R,3S)-3-cyclopropylcyclohexyl]carbamoylamino]methyl]phenyl]cyclohexanecarboxamide is O=C(NCc1cccc(NC(=O)C2CCCCC2)c1)N[C@@H]1CCC[C@H](C2CC2)C1.
What is the InChIKey of N-[3-[[[(1R,3S)-3-cyclopropylcyclohexyl]carbamoylamino]methyl]phenyl]cyclohexanecarboxamide?
The InChIKey is JDHLYDJEUURONY-RBBKRZOGSA-N. The full InChI is InChI=1S/C24H35N3O2/c28-23(19-7-2-1-3-8-19)26-21-10-4-6-17(14-21)16-25-24(29)27-22-11-5-9-20(15-22)18-12-13-18/h4,6,10,14,18-20,22H,1-3,5,7-9,11-13,15-16H2,(H,26,28)(H2,25,27,29)/t20-,22+/m0/s1.
What are the key properties of N-[3-[[[(1R,3S)-3-cyclopropylcyclohexyl]carbamoylamino]methyl]phenyl]cyclohexanecarboxamide?
N-[3-[[[(1R,3S)-3-cyclopropylcyclohexyl]carbamoylamino]methyl]phenyl]cyclohexanecarboxamide has a molecular weight of 397.56 g/mol, XLogP of 4.97, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[(1R,3S)-3-cyclopropylcyclohexyl]carbamoylamino]methyl]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 167928606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).