N-[2-[3-(carbamoylamino)-5-phenylmethoxyphenyl]-2-hydroxyethyl]cyclohexanecarboxamide

C23H29N3O4 — CID 20534179

IUPACN-[2-[3-(carbamoylamino)-5-phenylmethoxyphenyl]-2-hydroxyethyl]cyclohexanecarboxamide
SMILESNC(=O)Nc1cc(OCc2ccccc2)cc(C(O)CNC(=O)C2CCCCC2)c1
InChIInChI=1S/C23H29N3O4/c24-23(29)26-19-11-18(12-20(13-19)30-15-16-7-3-1-4-8-16)21(27)14-25-22(28)17-9-5-2-6-10-17/h1,3-4,7-8,11-13,17,21,27H,2,5-6,9-10,14-15H2,(H,25,28)(H3,24,26,29)
InChIKeyMFCQUULOLREHIW-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.49
Rot. Bonds8

About N-[2-[3-(carbamoylamino)-5-phenylmethoxyphenyl]-2-hydroxyethyl]cyclohexanecarboxamide

N-[2-[3-(carbamoylamino)-5-phenylmethoxyphenyl]-2-hydroxyethyl]cyclohexanecarboxamide (PubChem CID 20534179) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is N-[2-[3-(carbamoylamino)-5-phenylmethoxyphenyl]-2-hydroxyethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[3-(carbamoylamino)-5-phenylmethoxyphenyl]-2-hydroxyethyl]cyclohexanecarboxamide
PubChem CID20534179
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC NameN-[2-[3-(carbamoylamino)-5-phenylmethoxyphenyl]-2-hydroxyethyl]cyclohexanecarboxamide
SMILESNC(=O)Nc1cc(OCc2ccccc2)cc(C(O)CNC(=O)C2CCCCC2)c1
InChIInChI=1S/C23H29N3O4/c24-23(29)26-19-11-18(12-20(13-19)30-15-16-7-3-1-4-8-16)21(27)14-25-22(28)17-9-5-2-6-10-17/h1,3-4,7-8,11-13,17,21,27H,2,5-6,9-10,14-15H2,(H,25,28)(H3,24,26,29)
InChIKeyMFCQUULOLREHIW-UHFFFAOYSA-N
XLogP3.49
TPSA113.68 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-hydroxy-2-phenylethyl]cyclopentanecarboxamide
CID 93032915
N-[3,5-bis[(3-carbamimidoylphenyl)methoxy]phenyl]cyclohexanecarboxamide
CID 91252254
N-[(3-phenylmethoxyphenyl)carbamothioyl]cyclohexanecarboxamide
CID 17086173
N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide
CID 51941928
N-(2-bromo-5-phenylmethoxyphenyl)cyclopentanecarboxamide
CID 58221370
N-(2-bromo-2-phenylethyl)cyclohexanecarboxamide
CID 113274135
1-[3,5-bis(phenylmethoxy)phenyl]-2-bromoethanol
CID 11640220
(3S)-3-N-[(3-phenylmethoxyphenyl)methyl]piperidine-1,3-dicarboxamide
CID 97153155
benzyl (2R)-2-(cyclohexanecarbonylamino)propanoate
CID 171356618
benzyl 3-[(3-amino-2-hydroxy-3-oxopropyl)carbamoyl]pyrrolidine-1-carboxylate
CID 154865844
4-(cyclohexanecarbonylamino)-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 4509998
N-[4-(4-phenylmethoxyanilino)phenyl]cyclopropanecarboxamide
CID 112988911

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(carbamoylamino)-5-phenylmethoxyphenyl]-2-hydroxyethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[3-(carbamoylamino)-5-phenylmethoxyphenyl]-2-hydroxyethyl]cyclohexanecarboxamide (CID 20534179) is N-[2-[3-(carbamoylamino)-5-phenylmethoxyphenyl]-2-hydroxyethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[3-(carbamoylamino)-5-phenylmethoxyphenyl]-2-hydroxyethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[3-(carbamoylamino)-5-phenylmethoxyphenyl]-2-hydroxyethyl]cyclohexanecarboxamide is NC(=O)Nc1cc(OCc2ccccc2)cc(C(O)CNC(=O)C2CCCCC2)c1.
What is the InChIKey of N-[2-[3-(carbamoylamino)-5-phenylmethoxyphenyl]-2-hydroxyethyl]cyclohexanecarboxamide?
The InChIKey is MFCQUULOLREHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c24-23(29)26-19-11-18(12-20(13-19)30-15-16-7-3-1-4-8-16)21(27)14-25-22(28)17-9-5-2-6-10-17/h1,3-4,7-8,11-13,17,21,27H,2,5-6,9-10,14-15H2,(H,25,28)(H3,24,26,29).
What are the key properties of N-[2-[3-(carbamoylamino)-5-phenylmethoxyphenyl]-2-hydroxyethyl]cyclohexanecarboxamide?
N-[2-[3-(carbamoylamino)-5-phenylmethoxyphenyl]-2-hydroxyethyl]cyclohexanecarboxamide has a molecular weight of 411.50 g/mol, XLogP of 3.49, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(carbamoylamino)-5-phenylmethoxyphenyl]-2-hydroxyethyl]cyclohexanecarboxamide is sourced from PubChem (CID 20534179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).