benzyl N-[[(2R)-2-hydroxy-4-phenylbutyl]-(2-methylpropyl)amino]carbamate

C22H30N2O3 — CID 54417700

IUPACbenzyl N-[[(2R)-2-hydroxy-4-phenylbutyl]-(2-methylpropyl)amino]carbamate
SMILESCC(C)CN(C[C@H](O)CCc1ccccc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C22H30N2O3/c1-18(2)15-24(16-21(25)14-13-19-9-5-3-6-10-19)23-22(26)27-17-20-11-7-4-8-12-20/h3-12,18,21,25H,13-17H2,1-2H3,(H,23,26)/t21-/m1/s1
InChIKeyVYOYEOWFQRIGSU-OAQYLSRUSA-N
MW370.49 g/mol
LogP3.78
Rot. Bonds10

About benzyl N-[[(2R)-2-hydroxy-4-phenylbutyl]-(2-methylpropyl)amino]carbamate

benzyl N-[[(2R)-2-hydroxy-4-phenylbutyl]-(2-methylpropyl)amino]carbamate (PubChem CID 54417700) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is benzyl N-[[(2R)-2-hydroxy-4-phenylbutyl]-(2-methylpropyl)amino]carbamate.

Molecular Properties

Compound Namebenzyl N-[[(2R)-2-hydroxy-4-phenylbutyl]-(2-methylpropyl)amino]carbamate
PubChem CID54417700
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Namebenzyl N-[[(2R)-2-hydroxy-4-phenylbutyl]-(2-methylpropyl)amino]carbamate
SMILESCC(C)CN(C[C@H](O)CCc1ccccc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C22H30N2O3/c1-18(2)15-24(16-21(25)14-13-19-9-5-3-6-10-19)23-22(26)27-17-20-11-7-4-8-12-20/h3-12,18,21,25H,13-17H2,1-2H3,(H,23,26)/t21-/m1/s1
InChIKeyVYOYEOWFQRIGSU-OAQYLSRUSA-N
XLogP3.78
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze benzyl N-[[(2R)-2-hydroxy-4-phenylbutyl]-(2-methylpropyl)amino]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[[(2S)-2-hydroxy-4-phenylbutyl]-(2-phenylethyl)amino]-N-(phenylmethoxycarbonylamino)carbamate
CID 57317800
2-amino-4-phenyl-N-phenylmethoxybutanamide
CID 76637297
2-amino-4-phenyl-N-propan-2-ylbutanamide
CID 114924577
benzyl N-[(2R)-1-amino-2-hydroxy-4-phenylbutyl]carbamate
CID 56996199
benzyl N-[(2R)-2-amino-4-methylpentanoyl]carbamate
CID 150888209
tert-butyl N-[cyclohexylmethyl-[(2S)-2-hydroxy-4-phenylbutyl]amino]-N-(phenylmethoxycarbonylamino)carbamate
CID 57203325
(2S)-2-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide
CID 104984748
3-[[(2S)-2-amino-4-phenylbutanoyl]amino]butanoic acid
CID 104984129
benzyl N-(2-aminopropanoyl)carbamate
CID 54205140
(2S)-2-amino-N',N'-dimethyl-4-phenylbutanehydrazide
CID 104984735
benzyl N-(2-amino-3-hydroxybutanoyl)carbamate
CID 19774489
benzyl N-[(2S)-2-amino-3-hydroxybutanoyl]carbamate
CID 67860655

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[(2R)-2-hydroxy-4-phenylbutyl]-(2-methylpropyl)amino]carbamate?
The IUPAC name of benzyl N-[[(2R)-2-hydroxy-4-phenylbutyl]-(2-methylpropyl)amino]carbamate (CID 54417700) is benzyl N-[[(2R)-2-hydroxy-4-phenylbutyl]-(2-methylpropyl)amino]carbamate.
What is the SMILES notation for benzyl N-[[(2R)-2-hydroxy-4-phenylbutyl]-(2-methylpropyl)amino]carbamate?
The canonical SMILES for benzyl N-[[(2R)-2-hydroxy-4-phenylbutyl]-(2-methylpropyl)amino]carbamate is CC(C)CN(C[C@H](O)CCc1ccccc1)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[[(2R)-2-hydroxy-4-phenylbutyl]-(2-methylpropyl)amino]carbamate?
The InChIKey is VYOYEOWFQRIGSU-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-18(2)15-24(16-21(25)14-13-19-9-5-3-6-10-19)23-22(26)27-17-20-11-7-4-8-12-20/h3-12,18,21,25H,13-17H2,1-2H3,(H,23,26)/t21-/m1/s1.
What are the key properties of benzyl N-[[(2R)-2-hydroxy-4-phenylbutyl]-(2-methylpropyl)amino]carbamate?
benzyl N-[[(2R)-2-hydroxy-4-phenylbutyl]-(2-methylpropyl)amino]carbamate has a molecular weight of 370.49 g/mol, XLogP of 3.78, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[(2R)-2-hydroxy-4-phenylbutyl]-(2-methylpropyl)amino]carbamate is sourced from PubChem (CID 54417700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).