cyclohexyl N-[1-[(2-hydroxyoxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate

C17H30N2O5 — CID 22444801

IUPACcyclohexyl N-[1-[(2-hydroxyoxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate
SMILESCC(C)CC(NC(=O)OC1CCCCC1)C(=O)NC1CCOC1O
InChIInChI=1S/C17H30N2O5/c1-11(2)10-14(15(20)18-13-8-9-23-16(13)21)19-17(22)24-12-6-4-3-5-7-12/h11-14,16,21H,3-10H2,1-2H3,(H,18,20)(H,19,22)
InChIKeyBSCNKPCPWGMMDR-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.68
Rot. Bonds6

About cyclohexyl N-[1-[(2-hydroxyoxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate

cyclohexyl N-[1-[(2-hydroxyoxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate (PubChem CID 22444801) has the molecular formula C17H30N2O5 and a molecular weight of 342.44 g/mol. Its IUPAC name is cyclohexyl N-[1-[(2-hydroxyoxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Namecyclohexyl N-[1-[(2-hydroxyoxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate
PubChem CID22444801
Molecular FormulaC17H30N2O5
Molecular Weight342.44 g/mol
Exact Mass342.22
IUPAC Namecyclohexyl N-[1-[(2-hydroxyoxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate
SMILESCC(C)CC(NC(=O)OC1CCCCC1)C(=O)NC1CCOC1O
InChIInChI=1S/C17H30N2O5/c1-11(2)10-14(15(20)18-13-8-9-23-16(13)21)19-17(22)24-12-6-4-3-5-7-12/h11-14,16,21H,3-10H2,1-2H3,(H,18,20)(H,19,22)
InChIKeyBSCNKPCPWGMMDR-UHFFFAOYSA-N
XLogP1.68
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 54417217
N-[1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 67698271
4-chloro-N-[1-[(2-hydroxyoxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 22444822
N-(2-hydroxyoxolan-3-yl)-4-methyl-2-(phenylcarbamothioylamino)pentanamide
CID 23062313
N-[(3S)-2-hydroxyoxolan-3-yl]-4-methyl-2-[(2-naphthalen-1-ylacetyl)amino]pentanamide
CID 67699186
[(2S,3S)-3-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]oxolan-2-yl] acetate
CID 54054053
cyclohexyl N-(2-methylpropyl)carbamate
CID 123419142
2-(carbamoylamino)-N-(2-hydroxycyclohexyl)-4-methylpentanamide
CID 62365972
2-[(4-tert-butylphenyl)sulfonylamino]-N-[(3S)-2-hydroxyoxolan-3-yl]-4-methylpentanamide
CID 67698595
(2S)-2-(benzenesulfonamido)-N-[(3S)-2-hydroxyoxan-3-yl]-4-methylpentanamide
CID 139726517
cyclohexyl 4-methyl-2-(methylamino)pentanoate
CID 143660468
N-[1-[[(2S,3S)-2-hydroxyoxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-(4-methylanilino)benzamide
CID 46892761

Frequently Asked Questions

What is the IUPAC name of cyclohexyl N-[1-[(2-hydroxyoxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate?
The IUPAC name of cyclohexyl N-[1-[(2-hydroxyoxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate (CID 22444801) is cyclohexyl N-[1-[(2-hydroxyoxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate.
What is the SMILES notation for cyclohexyl N-[1-[(2-hydroxyoxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate?
The canonical SMILES for cyclohexyl N-[1-[(2-hydroxyoxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate is CC(C)CC(NC(=O)OC1CCCCC1)C(=O)NC1CCOC1O.
What is the InChIKey of cyclohexyl N-[1-[(2-hydroxyoxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate?
The InChIKey is BSCNKPCPWGMMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O5/c1-11(2)10-14(15(20)18-13-8-9-23-16(13)21)19-17(22)24-12-6-4-3-5-7-12/h11-14,16,21H,3-10H2,1-2H3,(H,18,20)(H,19,22).
What are the key properties of cyclohexyl N-[1-[(2-hydroxyoxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate?
cyclohexyl N-[1-[(2-hydroxyoxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate has a molecular weight of 342.44 g/mol, XLogP of 1.68, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl N-[1-[(2-hydroxyoxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 22444801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).