benzyl N-(3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)carbamate

C18H26N2O4 — CID 51149564

IUPACbenzyl N-(3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)carbamate
SMILESCCC(C)C(NC(=O)OCc1ccccc1)C(=O)N1CCOCC1
InChIInChI=1S/C18H26N2O4/c1-3-14(2)16(17(21)20-9-11-23-12-10-20)19-18(22)24-13-15-7-5-4-6-8-15/h4-8,14,16H,3,9-13H2,1-2H3,(H,19,22)
InChIKeyKQLRDWMIZNHDRK-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.19
Rot. Bonds6

About benzyl N-(3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)carbamate

benzyl N-(3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)carbamate (PubChem CID 51149564) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is benzyl N-(3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)carbamate
PubChem CID51149564
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Namebenzyl N-(3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)carbamate
SMILESCCC(C)C(NC(=O)OCc1ccccc1)C(=O)N1CCOCC1
InChIInChI=1S/C18H26N2O4/c1-3-14(2)16(17(21)20-9-11-23-12-10-20)19-18(22)24-13-15-7-5-4-6-8-15/h4-8,14,16H,3,9-13H2,1-2H3,(H,19,22)
InChIKeyKQLRDWMIZNHDRK-UHFFFAOYSA-N
XLogP2.19
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[(2S)-1-oxo-1-[16-[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propan-2-yl]carbamate
CID 13291357
benzyl N-[(2S,3S)-1-[4-(1-cyano-2-methylpropyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]carbamate
CID 56585978
benzyl N-[(2S,3S)-3-methyl-1-oxo-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pentan-2-yl]carbamate
CID 55937257
benzyl N-[(2R)-3-amino-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate
CID 59324457
2-benzamido-N-[(2S,3R)-3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]benzamide
CID 7242642
benzyl N-[(2S)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 86803179
benzyl N-[(2S,3S)-3-methyl-1-[(4-methylpiperazin-1-yl)amino]-1-oxopentan-2-yl]carbamate
CID 9205074
(2R)-1-morpholin-4-yl-2-phenylmethoxypropan-1-one
CID 165346158
benzyl (2R,4S)-2,4-dimethyl-5-oxo-5-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)pentanoate
CID 92846824
2-carboxyoxyethyl (2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoate
CID 139931550
benzyl N-[(3S)-1,1,1-trifluoro-4-methyl-2-oxohexan-3-yl]carbamate
CID 57158753
benzyl N-[1-(cyclopentylamino)-3-methyl-1-oxopentan-2-yl]carbamate
CID 51159515

Frequently Asked Questions

What is the IUPAC name of benzyl N-(3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)carbamate?
The IUPAC name of benzyl N-(3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)carbamate (CID 51149564) is benzyl N-(3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)carbamate.
What is the SMILES notation for benzyl N-(3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)carbamate?
The canonical SMILES for benzyl N-(3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)carbamate is CCC(C)C(NC(=O)OCc1ccccc1)C(=O)N1CCOCC1.
What is the InChIKey of benzyl N-(3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)carbamate?
The InChIKey is KQLRDWMIZNHDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-3-14(2)16(17(21)20-9-11-23-12-10-20)19-18(22)24-13-15-7-5-4-6-8-15/h4-8,14,16H,3,9-13H2,1-2H3,(H,19,22).
What are the key properties of benzyl N-(3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)carbamate?
benzyl N-(3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)carbamate has a molecular weight of 334.42 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)carbamate is sourced from PubChem (CID 51149564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).