(2R)-N-(cyclohexylmethyl)-2-phenyl-2-(phenylmethoxycarbamoylamino)acetamide

C23H29N3O3 — CID 24874558

IUPAC(2R)-N-(cyclohexylmethyl)-2-phenyl-2-(phenylmethoxycarbamoylamino)acetamide
SMILESO=C(NOCc1ccccc1)N[C@@H](C(=O)NCC1CCCCC1)c1ccccc1
InChIInChI=1S/C23H29N3O3/c27-22(24-16-18-10-4-1-5-11-18)21(20-14-8-3-9-15-20)25-23(28)26-29-17-19-12-6-2-7-13-19/h2-3,6-9,12-15,18,21H,1,4-5,10-11,16-17H2,(H,24,27)(H2,25,26,28)/t21-/m1/s1
InChIKeyULQACXAVDQXNAG-OAQYLSRUSA-N
MW395.50 g/mol
LogP3.86
Rot. Bonds8

About (2R)-N-(cyclohexylmethyl)-2-phenyl-2-(phenylmethoxycarbamoylamino)acetamide

(2R)-N-(cyclohexylmethyl)-2-phenyl-2-(phenylmethoxycarbamoylamino)acetamide (PubChem CID 24874558) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is (2R)-N-(cyclohexylmethyl)-2-phenyl-2-(phenylmethoxycarbamoylamino)acetamide.

Molecular Properties

Compound Name(2R)-N-(cyclohexylmethyl)-2-phenyl-2-(phenylmethoxycarbamoylamino)acetamide
PubChem CID24874558
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name(2R)-N-(cyclohexylmethyl)-2-phenyl-2-(phenylmethoxycarbamoylamino)acetamide
SMILESO=C(NOCc1ccccc1)N[C@@H](C(=O)NCC1CCCCC1)c1ccccc1
InChIInChI=1S/C23H29N3O3/c27-22(24-16-18-10-4-1-5-11-18)21(20-14-8-3-9-15-20)25-23(28)26-29-17-19-12-6-2-7-13-19/h2-3,6-9,12-15,18,21H,1,4-5,10-11,16-17H2,(H,24,27)(H2,25,26,28)/t21-/m1/s1
InChIKeyULQACXAVDQXNAG-OAQYLSRUSA-N
XLogP3.86
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(cyclohexylmethylcarbamoylamino)-2-phenylacetic acid
CID 61197265
benzyl N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]carbamate
CID 97267835
1-benzhydryl-3-(cyclohexylmethyl)urea
CID 108902827
(2S)-2-amino-N-(cyclohexylmethyl)-3-phenylpropanamide;hydrochloride
CID 119262630
benzyl N-[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]carbamate
CID 97267837
1-(2-hydroxy-1-phenylethyl)-3-phenylmethoxyurea
CID 110933498
(2R)-N-(cyclohexylmethyl)-2-(dimethylamino)-2-phenylacetamide
CID 100566223
benzyl N-(cyclopropylmethyl)carbamate
CID 53419264
N-(cycloheptylmethyl)-2-phenylacetamide
CID 54313529
(3S)-3-amino-N-(cyclopentylmethyl)-2-hydroxy-4-phenylbutanamide
CID 56998596
2-cyclobutyl-N-phenylmethoxyacetamide
CID 103706482
benzyl N-[2-(cyanomethylamino)-2-oxo-1-phenylethyl]carbamate
CID 73006787

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(cyclohexylmethyl)-2-phenyl-2-(phenylmethoxycarbamoylamino)acetamide?
The IUPAC name of (2R)-N-(cyclohexylmethyl)-2-phenyl-2-(phenylmethoxycarbamoylamino)acetamide (CID 24874558) is (2R)-N-(cyclohexylmethyl)-2-phenyl-2-(phenylmethoxycarbamoylamino)acetamide.
What is the SMILES notation for (2R)-N-(cyclohexylmethyl)-2-phenyl-2-(phenylmethoxycarbamoylamino)acetamide?
The canonical SMILES for (2R)-N-(cyclohexylmethyl)-2-phenyl-2-(phenylmethoxycarbamoylamino)acetamide is O=C(NOCc1ccccc1)N[C@@H](C(=O)NCC1CCCCC1)c1ccccc1.
What is the InChIKey of (2R)-N-(cyclohexylmethyl)-2-phenyl-2-(phenylmethoxycarbamoylamino)acetamide?
The InChIKey is ULQACXAVDQXNAG-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H29N3O3/c27-22(24-16-18-10-4-1-5-11-18)21(20-14-8-3-9-15-20)25-23(28)26-29-17-19-12-6-2-7-13-19/h2-3,6-9,12-15,18,21H,1,4-5,10-11,16-17H2,(H,24,27)(H2,25,26,28)/t21-/m1/s1.
What are the key properties of (2R)-N-(cyclohexylmethyl)-2-phenyl-2-(phenylmethoxycarbamoylamino)acetamide?
(2R)-N-(cyclohexylmethyl)-2-phenyl-2-(phenylmethoxycarbamoylamino)acetamide has a molecular weight of 395.50 g/mol, XLogP of 3.86, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(cyclohexylmethyl)-2-phenyl-2-(phenylmethoxycarbamoylamino)acetamide is sourced from PubChem (CID 24874558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).