methyl N-butyl-N-[1-(cyclohexen-1-ylamino)-3-methyl-1-oxobutan-2-yl]carbamate

C17H30N2O3 — CID 10662762

IUPACmethyl N-butyl-N-[1-(cyclohexen-1-ylamino)-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCCCCN(C(=O)OC)C(C(=O)NC1=CCCCC1)C(C)C
InChIInChI=1S/C17H30N2O3/c1-5-6-12-19(17(21)22-4)15(13(2)3)16(20)18-14-10-8-7-9-11-14/h10,13,15H,5-9,11-12H2,1-4H3,(H,18,20)
InChIKeyUXQZGXZSUFGSJC-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.45
Rot. Bonds7

About methyl N-butyl-N-[1-(cyclohexen-1-ylamino)-3-methyl-1-oxobutan-2-yl]carbamate

methyl N-butyl-N-[1-(cyclohexen-1-ylamino)-3-methyl-1-oxobutan-2-yl]carbamate (PubChem CID 10662762) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is methyl N-butyl-N-[1-(cyclohexen-1-ylamino)-3-methyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-butyl-N-[1-(cyclohexen-1-ylamino)-3-methyl-1-oxobutan-2-yl]carbamate
PubChem CID10662762
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Namemethyl N-butyl-N-[1-(cyclohexen-1-ylamino)-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCCCCN(C(=O)OC)C(C(=O)NC1=CCCCC1)C(C)C
InChIInChI=1S/C17H30N2O3/c1-5-6-12-19(17(21)22-4)15(13(2)3)16(20)18-14-10-8-7-9-11-14/h10,13,15H,5-9,11-12H2,1-4H3,(H,18,20)
InChIKeyUXQZGXZSUFGSJC-UHFFFAOYSA-N
XLogP3.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[1-(cyclohexen-1-ylamino)-3-methyl-1-oxobutan-2-yl]carbamate
CID 135002029
(2S)-2-amino-4-methyl-N-[(2S)-1-[[(E)-oct-4-en-4-yl]amino]-1-oxopropan-2-yl]pentanamide
CID 24755409
(2S)-2-amino-4-methyl-N-[(2S)-1-(oct-4-en-4-ylamino)-1-oxopropan-2-yl]pentanamide
CID 91579511
tert-butyl N-[(2S)-1-[[(2S)-1-[[(4R)-4-ethylcyclohexen-1-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 129208077
(2S)-2-amino-N-[(2S)-1-[[(4R)-4-ethylcyclohexen-1-yl]amino]-1-oxopropan-2-yl]-3-methylbutanamide
CID 129208079
methyl N-[(2S)-1-[2-(6-bromo-3-ethyl-1,4-dihydropyridin-2-yl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 134270102
methyl N-[(2S)-1-[2-[(Z)-1-aminoprop-1-enyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 145602313
methyl N-[(2S)-1-[(2S)-2-(6-bromo-3-ethyl-1,4-dihydropyridin-2-yl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 155070497
N-tert-butyl-2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-methylamino]acetamide
CID 8768359
N-tert-butyl-2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]acetamide
CID 8768439
[2-[Cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8914031
2-[[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 8914032

Frequently Asked Questions

What is the IUPAC name of methyl N-butyl-N-[1-(cyclohexen-1-ylamino)-3-methyl-1-oxobutan-2-yl]carbamate?
The IUPAC name of methyl N-butyl-N-[1-(cyclohexen-1-ylamino)-3-methyl-1-oxobutan-2-yl]carbamate (CID 10662762) is methyl N-butyl-N-[1-(cyclohexen-1-ylamino)-3-methyl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for methyl N-butyl-N-[1-(cyclohexen-1-ylamino)-3-methyl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for methyl N-butyl-N-[1-(cyclohexen-1-ylamino)-3-methyl-1-oxobutan-2-yl]carbamate is CCCCN(C(=O)OC)C(C(=O)NC1=CCCCC1)C(C)C.
What is the InChIKey of methyl N-butyl-N-[1-(cyclohexen-1-ylamino)-3-methyl-1-oxobutan-2-yl]carbamate?
The InChIKey is UXQZGXZSUFGSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-5-6-12-19(17(21)22-4)15(13(2)3)16(20)18-14-10-8-7-9-11-14/h10,13,15H,5-9,11-12H2,1-4H3,(H,18,20).
What are the key properties of methyl N-butyl-N-[1-(cyclohexen-1-ylamino)-3-methyl-1-oxobutan-2-yl]carbamate?
methyl N-butyl-N-[1-(cyclohexen-1-ylamino)-3-methyl-1-oxobutan-2-yl]carbamate has a molecular weight of 310.44 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-butyl-N-[1-(cyclohexen-1-ylamino)-3-methyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 10662762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).