benzyl N-[4-[(2-aminoacetyl)amino]cyclohexyl]-N-methylcarbamate

C17H25N3O3 — CID 66566678

IUPACbenzyl N-[4-[(2-aminoacetyl)amino]cyclohexyl]-N-methylcarbamate
SMILESCN(C(=O)OCc1ccccc1)C1CCC(NC(=O)CN)CC1
InChIInChI=1S/C17H25N3O3/c1-20(17(22)23-12-13-5-3-2-4-6-13)15-9-7-14(8-10-15)19-16(21)11-18/h2-6,14-15H,7-12,18H2,1H3,(H,19,21)
InChIKeyYPMCPCGCEKYSIB-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.64
Rot. Bonds5

About benzyl N-[4-[(2-aminoacetyl)amino]cyclohexyl]-N-methylcarbamate

benzyl N-[4-[(2-aminoacetyl)amino]cyclohexyl]-N-methylcarbamate (PubChem CID 66566678) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is benzyl N-[4-[(2-aminoacetyl)amino]cyclohexyl]-N-methylcarbamate.

Molecular Properties

Compound Namebenzyl N-[4-[(2-aminoacetyl)amino]cyclohexyl]-N-methylcarbamate
PubChem CID66566678
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Namebenzyl N-[4-[(2-aminoacetyl)amino]cyclohexyl]-N-methylcarbamate
SMILESCN(C(=O)OCc1ccccc1)C1CCC(NC(=O)CN)CC1
InChIInChI=1S/C17H25N3O3/c1-20(17(22)23-12-13-5-3-2-4-6-13)15-9-7-14(8-10-15)19-16(21)11-18/h2-6,14-15H,7-12,18H2,1H3,(H,19,21)
InChIKeyYPMCPCGCEKYSIB-UHFFFAOYSA-N
XLogP1.64
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-methyl-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 91361033
benzyl N-(4-aminocyclohexyl)-N-methylcarbamate
CID 91599052
benzyl N-[(1R,3R,4S)-3,4-dihydroxycyclohexyl]-N-methylcarbamate
CID 67475983
2-amino-N-[4-[benzyl(ethyl)amino]cyclohexyl]acetamide
CID 66567128
benzyl N-(4-chlorosulfinylcyclohexyl)-N-methylcarbamate
CID 155061465
benzyl N-methyl-N-[4-(2-oxoethyl)cyclohexyl]carbamate
CID 86589723
benzyl N-[(3S)-3,4-dihydroxycyclopentyl]-N-methylcarbamate
CID 144529181
2-amino-N-[4-[benzyl(propan-2-yl)amino]cyclohexyl]acetamide
CID 66564020
benzyl N-[4-(1H-indazole-5-carbonylamino)cyclohexyl]-N-methylcarbamate
CID 90771041
2-[methyl-[4-(phenylmethoxycarbonylamino)cyclohexyl]amino]acetic acid
CID 66563958
benzyl N-[4-[(2-amino-3-methylbutanoyl)-methylamino]cyclohexyl]carbamate
CID 77143795
benzyl N-(3-aminocyclohexyl)-N-methylcarbamate
CID 138114146

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-[(2-aminoacetyl)amino]cyclohexyl]-N-methylcarbamate?
The IUPAC name of benzyl N-[4-[(2-aminoacetyl)amino]cyclohexyl]-N-methylcarbamate (CID 66566678) is benzyl N-[4-[(2-aminoacetyl)amino]cyclohexyl]-N-methylcarbamate.
What is the SMILES notation for benzyl N-[4-[(2-aminoacetyl)amino]cyclohexyl]-N-methylcarbamate?
The canonical SMILES for benzyl N-[4-[(2-aminoacetyl)amino]cyclohexyl]-N-methylcarbamate is CN(C(=O)OCc1ccccc1)C1CCC(NC(=O)CN)CC1.
What is the InChIKey of benzyl N-[4-[(2-aminoacetyl)amino]cyclohexyl]-N-methylcarbamate?
The InChIKey is YPMCPCGCEKYSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-20(17(22)23-12-13-5-3-2-4-6-13)15-9-7-14(8-10-15)19-16(21)11-18/h2-6,14-15H,7-12,18H2,1H3,(H,19,21).
What are the key properties of benzyl N-[4-[(2-aminoacetyl)amino]cyclohexyl]-N-methylcarbamate?
benzyl N-[4-[(2-aminoacetyl)amino]cyclohexyl]-N-methylcarbamate has a molecular weight of 319.40 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-[(2-aminoacetyl)amino]cyclohexyl]-N-methylcarbamate is sourced from PubChem (CID 66566678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).