benzyl N-[1-(cyclopentylamino)-3-methyl-1-oxopentan-2-yl]carbamate

C19H28N2O3 — CID 51159515

IUPACbenzyl N-[1-(cyclopentylamino)-3-methyl-1-oxopentan-2-yl]carbamate
SMILESCCC(C)C(NC(=O)OCc1ccccc1)C(=O)NC1CCCC1
InChIInChI=1S/C19H28N2O3/c1-3-14(2)17(18(22)20-16-11-7-8-12-16)21-19(23)24-13-15-9-5-4-6-10-15/h4-6,9-10,14,16-17H,3,7-8,11-13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyZMFUFWBELOGFHE-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.39
Rot. Bonds7

About benzyl N-[1-(cyclopentylamino)-3-methyl-1-oxopentan-2-yl]carbamate

benzyl N-[1-(cyclopentylamino)-3-methyl-1-oxopentan-2-yl]carbamate (PubChem CID 51159515) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is benzyl N-[1-(cyclopentylamino)-3-methyl-1-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-(cyclopentylamino)-3-methyl-1-oxopentan-2-yl]carbamate
PubChem CID51159515
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Namebenzyl N-[1-(cyclopentylamino)-3-methyl-1-oxopentan-2-yl]carbamate
SMILESCCC(C)C(NC(=O)OCc1ccccc1)C(=O)NC1CCCC1
InChIInChI=1S/C19H28N2O3/c1-3-14(2)17(18(22)20-16-11-7-8-12-16)21-19(23)24-13-15-9-5-4-6-10-15/h4-6,9-10,14,16-17H,3,7-8,11-13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyZMFUFWBELOGFHE-UHFFFAOYSA-N
XLogP3.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[1-(cyclopentylamino)-1-oxopropan-2-yl]carbamate
CID 42885017
benzyl N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]carbamate
CID 18108659
benzyl N-[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl]carbamate
CID 39958646
benzyl N-[(2S)-1-[[(3S)-2-methoxyoxolan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate
CID 70116559
benzyl N-[3-methyl-1-[12-[[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]dodecylamino]-1-oxopentan-2-yl]carbamate;benzyl N-[3-methyl-1-[7-[[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]heptylamino]-1-oxopentan-2-yl]carbamate
CID 122444345
N-[(2S,3S)-1-(cycloheptylamino)-3-methyl-1-oxopentan-2-yl]benzamide
CID 7613190
[2-(cyclohexylamino)-2-oxoethyl] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate
CID 4116688
ethyl (2S)-2-[[(2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoate
CID 15384115
benzyl N-[(2S,3R)-1-(4-acetamidoanilino)-3-methyl-1-oxopentan-2-yl]carbamate
CID 2412972
benzyl N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]carbamate
CID 97267835
benzyl N-[(2S,3S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate
CID 90900664
benzyl (2S)-4-methyl-2-[[(2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoate
CID 92643304

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(cyclopentylamino)-3-methyl-1-oxopentan-2-yl]carbamate?
The IUPAC name of benzyl N-[1-(cyclopentylamino)-3-methyl-1-oxopentan-2-yl]carbamate (CID 51159515) is benzyl N-[1-(cyclopentylamino)-3-methyl-1-oxopentan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[1-(cyclopentylamino)-3-methyl-1-oxopentan-2-yl]carbamate?
The canonical SMILES for benzyl N-[1-(cyclopentylamino)-3-methyl-1-oxopentan-2-yl]carbamate is CCC(C)C(NC(=O)OCc1ccccc1)C(=O)NC1CCCC1.
What is the InChIKey of benzyl N-[1-(cyclopentylamino)-3-methyl-1-oxopentan-2-yl]carbamate?
The InChIKey is ZMFUFWBELOGFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-3-14(2)17(18(22)20-16-11-7-8-12-16)21-19(23)24-13-15-9-5-4-6-10-15/h4-6,9-10,14,16-17H,3,7-8,11-13H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of benzyl N-[1-(cyclopentylamino)-3-methyl-1-oxopentan-2-yl]carbamate?
benzyl N-[1-(cyclopentylamino)-3-methyl-1-oxopentan-2-yl]carbamate has a molecular weight of 332.44 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(cyclopentylamino)-3-methyl-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 51159515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).