benzyl N-[(3R)-3-methyl-4-(2-methylpropylamino)butyl]carbamate

C17H28N2O2 — CID 134268781

IUPACbenzyl N-[(3R)-3-methyl-4-(2-methylpropylamino)butyl]carbamate
SMILESCC(C)CNC[C@H](C)CCNC(=O)OCc1ccccc1
InChIInChI=1S/C17H28N2O2/c1-14(2)11-18-12-15(3)9-10-19-17(20)21-13-16-7-5-4-6-8-16/h4-8,14-15,18H,9-13H2,1-3H3,(H,19,20)/t15-/m1/s1
InChIKeyNZKPKJPEKBCTEI-OAHLLOKOSA-N
MW292.42 g/mol
LogP3.18
Rot. Bonds9

About benzyl N-[(3R)-3-methyl-4-(2-methylpropylamino)butyl]carbamate

benzyl N-[(3R)-3-methyl-4-(2-methylpropylamino)butyl]carbamate (PubChem CID 134268781) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is benzyl N-[(3R)-3-methyl-4-(2-methylpropylamino)butyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(3R)-3-methyl-4-(2-methylpropylamino)butyl]carbamate
PubChem CID134268781
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Namebenzyl N-[(3R)-3-methyl-4-(2-methylpropylamino)butyl]carbamate
SMILESCC(C)CNC[C@H](C)CCNC(=O)OCc1ccccc1
InChIInChI=1S/C17H28N2O2/c1-14(2)11-18-12-15(3)9-10-19-17(20)21-13-16-7-5-4-6-8-16/h4-8,14-15,18H,9-13H2,1-3H3,(H,19,20)/t15-/m1/s1
InChIKeyNZKPKJPEKBCTEI-OAHLLOKOSA-N
XLogP3.18
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-(3-hydroxybutyl)carbamate
CID 54160471
benzyl N-(6-methylheptyl)carbamate
CID 59918495
2-hydroxy-5-methyl-6-(phenylmethoxycarbonylamino)hexanoic acid
CID 12647876
benzyl N-[(2S)-2-aminopropyl]carbamate
CID 45072682
benzyl N-[(2R)-2-(propan-2-ylamino)propyl]carbamate
CID 69087591
(2S)-2-[[(1R)-1-carboxy-3-(phenylmethoxycarbonylamino)propyl]amino]-4-methylpentanoic acid
CID 70521661
benzyl N-[2-(methylamino)-3-(phenylmethoxycarbonylamino)propyl]carbamate
CID 59366972
(2S)-2-methyl-5-(phenylmethoxycarbonylamino)pentanoic acid
CID 67585772
diethyl 2-[2-(phenylmethoxycarbonylamino)ethyl]propanedioate
CID 10903835
benzyl N-(2,6-dimethylhept-5-enyl)carbamate
CID 19049058
benzyl N-[3-(methoxymethoxy)butyl]carbamate
CID 173199640
benzyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate
CID 125117230

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3R)-3-methyl-4-(2-methylpropylamino)butyl]carbamate?
The IUPAC name of benzyl N-[(3R)-3-methyl-4-(2-methylpropylamino)butyl]carbamate (CID 134268781) is benzyl N-[(3R)-3-methyl-4-(2-methylpropylamino)butyl]carbamate.
What is the SMILES notation for benzyl N-[(3R)-3-methyl-4-(2-methylpropylamino)butyl]carbamate?
The canonical SMILES for benzyl N-[(3R)-3-methyl-4-(2-methylpropylamino)butyl]carbamate is CC(C)CNC[C@H](C)CCNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(3R)-3-methyl-4-(2-methylpropylamino)butyl]carbamate?
The InChIKey is NZKPKJPEKBCTEI-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-14(2)11-18-12-15(3)9-10-19-17(20)21-13-16-7-5-4-6-8-16/h4-8,14-15,18H,9-13H2,1-3H3,(H,19,20)/t15-/m1/s1.
What are the key properties of benzyl N-[(3R)-3-methyl-4-(2-methylpropylamino)butyl]carbamate?
benzyl N-[(3R)-3-methyl-4-(2-methylpropylamino)butyl]carbamate has a molecular weight of 292.42 g/mol, XLogP of 3.18, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3R)-3-methyl-4-(2-methylpropylamino)butyl]carbamate is sourced from PubChem (CID 134268781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).