benzyl N-[(2R)-3-amino-7-hydroxy-2-methyl-7-phenylheptyl]carbamate

C22H30N2O3 — CID 67656743

IUPACbenzyl N-[(2R)-3-amino-7-hydroxy-2-methyl-7-phenylheptyl]carbamate
SMILESC[C@H](CNC(=O)OCc1ccccc1)C(N)CCCC(O)c1ccccc1
InChIInChI=1S/C22H30N2O3/c1-17(15-24-22(26)27-16-18-9-4-2-5-10-18)20(23)13-8-14-21(25)19-11-6-3-7-12-19/h2-7,9-12,17,20-21,25H,8,13-16,23H2,1H3,(H,24,26)/t17-,20?,21?/m1/s1
InChIKeyUTWKLRIMYVSGFE-MDMXATFFSA-N
MW370.49 g/mol
LogP3.78
Rot. Bonds10

About benzyl N-[(2R)-3-amino-7-hydroxy-2-methyl-7-phenylheptyl]carbamate

benzyl N-[(2R)-3-amino-7-hydroxy-2-methyl-7-phenylheptyl]carbamate (PubChem CID 67656743) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is benzyl N-[(2R)-3-amino-7-hydroxy-2-methyl-7-phenylheptyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2R)-3-amino-7-hydroxy-2-methyl-7-phenylheptyl]carbamate
PubChem CID67656743
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Namebenzyl N-[(2R)-3-amino-7-hydroxy-2-methyl-7-phenylheptyl]carbamate
SMILESC[C@H](CNC(=O)OCc1ccccc1)C(N)CCCC(O)c1ccccc1
InChIInChI=1S/C22H30N2O3/c1-17(15-24-22(26)27-16-18-9-4-2-5-10-18)20(23)13-8-14-21(25)19-11-6-3-7-12-19/h2-7,9-12,17,20-21,25H,8,13-16,23H2,1H3,(H,24,26)/t17-,20?,21?/m1/s1
InChIKeyUTWKLRIMYVSGFE-MDMXATFFSA-N
XLogP3.78
TPSA84.58 Ų
H-Bond Donors3
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 ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate
CID 125117230
benzyl N-[(2S)-2-aminopropyl]carbamate
CID 45072682
benzyl N-(2-amino-2-phenylethyl)carbamate
CID 19016786
benzyl N-ethylcarbamate;ethane;molecular hydrogen
CID 143096019
benzyl N-(3-hydroxybutyl)carbamate
CID 54160471
(2S,3R)-3-methyl-2-phenylmethoxy-4-(phenylmethoxycarbonylamino)butanoic acid
CID 67806638
methyl 5-hydroxy-5-phenyl-2-(phenylmethoxycarbonylamino)pentanoate
CID 166446758
2-hydroxy-5-methyl-6-(phenylmethoxycarbonylamino)hexanoic acid
CID 12647876
benzyl N-(2-amino-3,3-difluoropropyl)carbamate
CID 86731696
benzyl N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]carbamate;hydrochloride
CID 69358558
benzyl N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]carbamate
CID 124679296
benzyl N-[(2R)-2-(propan-2-ylamino)propyl]carbamate
CID 69087591

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2R)-3-amino-7-hydroxy-2-methyl-7-phenylheptyl]carbamate?
The IUPAC name of benzyl N-[(2R)-3-amino-7-hydroxy-2-methyl-7-phenylheptyl]carbamate (CID 67656743) is benzyl N-[(2R)-3-amino-7-hydroxy-2-methyl-7-phenylheptyl]carbamate.
What is the SMILES notation for benzyl N-[(2R)-3-amino-7-hydroxy-2-methyl-7-phenylheptyl]carbamate?
The canonical SMILES for benzyl N-[(2R)-3-amino-7-hydroxy-2-methyl-7-phenylheptyl]carbamate is C[C@H](CNC(=O)OCc1ccccc1)C(N)CCCC(O)c1ccccc1.
What is the InChIKey of benzyl N-[(2R)-3-amino-7-hydroxy-2-methyl-7-phenylheptyl]carbamate?
The InChIKey is UTWKLRIMYVSGFE-MDMXATFFSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-17(15-24-22(26)27-16-18-9-4-2-5-10-18)20(23)13-8-14-21(25)19-11-6-3-7-12-19/h2-7,9-12,17,20-21,25H,8,13-16,23H2,1H3,(H,24,26)/t17-,20?,21?/m1/s1.
What are the key properties of benzyl N-[(2R)-3-amino-7-hydroxy-2-methyl-7-phenylheptyl]carbamate?
benzyl N-[(2R)-3-amino-7-hydroxy-2-methyl-7-phenylheptyl]carbamate has a molecular weight of 370.49 g/mol, XLogP of 3.78, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2R)-3-amino-7-hydroxy-2-methyl-7-phenylheptyl]carbamate is sourced from PubChem (CID 67656743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).