amino N-[4-[[4-(aminooxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate

C15H28N4O4 — CID 126490326

IUPACamino N-[4-[[4-(aminooxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
SMILESNOC(=O)NC1CCC(CC2CCC(NC(=O)ON)CC2)CC1
InChIInChI=1S/C15H28N4O4/c16-22-14(20)18-12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)19-15(21)23-17/h10-13H,1-9,16-17H2,(H,18,20)(H,19,21)
InChIKeyRDTOGQUGMZBTAA-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.69
Rot. Bonds4

About amino N-[4-[[4-(aminooxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate

amino N-[4-[[4-(aminooxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate (PubChem CID 126490326) has the molecular formula C15H28N4O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is amino N-[4-[[4-(aminooxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate.

Molecular Properties

Compound Nameamino N-[4-[[4-(aminooxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
PubChem CID126490326
Molecular FormulaC15H28N4O4
Molecular Weight328.41 g/mol
Exact Mass328.21
IUPAC Nameamino N-[4-[[4-(aminooxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
SMILESNOC(=O)NC1CCC(CC2CCC(NC(=O)ON)CC2)CC1
InChIInChI=1S/C15H28N4O4/c16-22-14(20)18-12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)19-15(21)23-17/h10-13H,1-9,16-17H2,(H,18,20)(H,19,21)
InChIKeyRDTOGQUGMZBTAA-UHFFFAOYSA-N
XLogP1.69
TPSA128.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze amino N-[4-[[4-(aminooxycarbonylamino)cyclohexyl]methyl]cyclohexyl]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

methyl N-[4-(cyclohexylmethyl)cyclohexyl]carbamate
CID 54392444
benzyl N-[4-[[4-(phenylmethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 10345017
[4-[[4-[[4-[[4-(prop-2-enoyloxymethyl)cyclohexyl]methoxycarbonylamino]cyclohexyl]methyl]cyclohexyl]carbamoyloxymethyl]cyclohexyl]methyl prop-2-enoate
CID 89212123
(4-methyl-3-oxopent-4-enyl) N-[4-[[4-[(4-methyl-3-oxopent-4-enoxy)carbonylamino]cyclohexyl]methyl]cyclohexyl]carbamate
CID 129070830
methyl N-[4-[[4-(hexoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 170941393
4-[[4-[[4-(methoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamoyloxy]-2-methylidenebutanoic acid
CID 154976396
1-hydroxypropan-2-yl N-[4-[[4-(1-hydroxypropan-2-yloxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 139648367
ethyl N-(4-propylcyclohexyl)carbamate
CID 61381222
2-(dibutylamino)ethyl N-[4-(cyclohexylmethyl)cyclohexyl]carbamate
CID 71191343
hexadecyl-[2-[[4-[[4-[2-[hexadecyl(dimethyl)azaniumyl]ethoxycarbonylamino]cyclohexyl]methyl]cyclohexyl]carbamoyloxy]ethyl]-dimethylazanium dibromide
CID 139432866
ethyl N-(4-butylcyclohexyl)carbamate
CID 145473547
4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;tert-butyl N-[4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]cyclohexyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;hydrate
CID 160778406

Frequently Asked Questions

What is the IUPAC name of amino N-[4-[[4-(aminooxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate?
The IUPAC name of amino N-[4-[[4-(aminooxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate (CID 126490326) is amino N-[4-[[4-(aminooxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate.
What is the SMILES notation for amino N-[4-[[4-(aminooxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate?
The canonical SMILES for amino N-[4-[[4-(aminooxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate is NOC(=O)NC1CCC(CC2CCC(NC(=O)ON)CC2)CC1.
What is the InChIKey of amino N-[4-[[4-(aminooxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate?
The InChIKey is RDTOGQUGMZBTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O4/c16-22-14(20)18-12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)19-15(21)23-17/h10-13H,1-9,16-17H2,(H,18,20)(H,19,21).
What are the key properties of amino N-[4-[[4-(aminooxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate?
amino N-[4-[[4-(aminooxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate has a molecular weight of 328.41 g/mol, XLogP of 1.69, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for amino N-[4-[[4-(aminooxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate is sourced from PubChem (CID 126490326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).