[(2S)-1-[benzhydryl(methyl)amino]propan-2-yl]-methylcarbamic acid

C19H24N2O2 — CID 68805705

IUPAC[(2S)-1-[benzhydryl(methyl)amino]propan-2-yl]-methylcarbamic acid
SMILESC[C@@H](CN(C)C(c1ccccc1)c1ccccc1)N(C)C(=O)O
InChIInChI=1S/C19H24N2O2/c1-15(21(3)19(22)23)14-20(2)18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,18H,14H2,1-3H3,(H,22,23)/t15-/m0/s1
InChIKeyZGIZZSCKTFVCAH-HNNXBMFYSA-N
MW312.41 g/mol
LogP3.71
Rot. Bonds6

About [(2S)-1-[benzhydryl(methyl)amino]propan-2-yl]-methylcarbamic acid

[(2S)-1-[benzhydryl(methyl)amino]propan-2-yl]-methylcarbamic acid (PubChem CID 68805705) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is [(2S)-1-[benzhydryl(methyl)amino]propan-2-yl]-methylcarbamic acid.

Molecular Properties

Compound Name[(2S)-1-[benzhydryl(methyl)amino]propan-2-yl]-methylcarbamic acid
PubChem CID68805705
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name[(2S)-1-[benzhydryl(methyl)amino]propan-2-yl]-methylcarbamic acid
SMILESC[C@@H](CN(C)C(c1ccccc1)c1ccccc1)N(C)C(=O)O
InChIInChI=1S/C19H24N2O2/c1-15(21(3)19(22)23)14-20(2)18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,18H,14H2,1-3H3,(H,22,23)/t15-/m0/s1
InChIKeyZGIZZSCKTFVCAH-HNNXBMFYSA-N
XLogP3.71
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[benzhydryl(methyl)amino]-1-phenylethanol
CID 3505407
methyl(1-phenylethyl)carbamic acid
CID 67062794
(2-fluoro-1-phenylpropyl)-methylcarbamic acid
CID 57373616
benzene;methyl(propan-2-yl)carbamic acid
CID 174351923
2-[benzhydryl(methyl)amino]-N-phenylacetamide
CID 8730173
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
CID 11138684
N-hydroxy-N-(1-phenylethyl)propanamide
CID 73083140
(1R)-1-[ethyl(methyl)amino]-1-phenylpropan-2-one
CID 66831262
2-[benzhydryl(methyl)amino]-N-(2-propan-2-ylphenyl)acetamide
CID 8730199
2-(aminomethyl)-N-methyl-N-(1-phenylethyl)pentanamide
CID 65230078
2-[[2-[benzhydryl(methyl)amino]acetyl]amino]acetamide
CID 8693314
3-[butan-2-yl(1-phenylethyl)amino]-2-methylpropanoic acid
CID 82328455

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[benzhydryl(methyl)amino]propan-2-yl]-methylcarbamic acid?
The IUPAC name of [(2S)-1-[benzhydryl(methyl)amino]propan-2-yl]-methylcarbamic acid (CID 68805705) is [(2S)-1-[benzhydryl(methyl)amino]propan-2-yl]-methylcarbamic acid.
What is the SMILES notation for [(2S)-1-[benzhydryl(methyl)amino]propan-2-yl]-methylcarbamic acid?
The canonical SMILES for [(2S)-1-[benzhydryl(methyl)amino]propan-2-yl]-methylcarbamic acid is C[C@@H](CN(C)C(c1ccccc1)c1ccccc1)N(C)C(=O)O.
What is the InChIKey of [(2S)-1-[benzhydryl(methyl)amino]propan-2-yl]-methylcarbamic acid?
The InChIKey is ZGIZZSCKTFVCAH-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-15(21(3)19(22)23)14-20(2)18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,18H,14H2,1-3H3,(H,22,23)/t15-/m0/s1.
What are the key properties of [(2S)-1-[benzhydryl(methyl)amino]propan-2-yl]-methylcarbamic acid?
[(2S)-1-[benzhydryl(methyl)amino]propan-2-yl]-methylcarbamic acid has a molecular weight of 312.41 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[benzhydryl(methyl)amino]propan-2-yl]-methylcarbamic acid is sourced from PubChem (CID 68805705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).