benzyl N-[4-methyl-1-oxo-1-(pentylamino)pentan-2-yl]carbamate

C19H30N2O3 — CID 145029981

IUPACbenzyl N-[4-methyl-1-oxo-1-(pentylamino)pentan-2-yl]carbamate
SMILESCCCCCNC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
InChIInChI=1S/C19H30N2O3/c1-4-5-9-12-20-18(22)17(13-15(2)3)21-19(23)24-14-16-10-7-6-8-11-16/h6-8,10-11,15,17H,4-5,9,12-14H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyNEVIZMFEYBWBTF-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.63
Rot. Bonds10

About benzyl N-[4-methyl-1-oxo-1-(pentylamino)pentan-2-yl]carbamate

benzyl N-[4-methyl-1-oxo-1-(pentylamino)pentan-2-yl]carbamate (PubChem CID 145029981) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is benzyl N-[4-methyl-1-oxo-1-(pentylamino)pentan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-methyl-1-oxo-1-(pentylamino)pentan-2-yl]carbamate
PubChem CID145029981
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Namebenzyl N-[4-methyl-1-oxo-1-(pentylamino)pentan-2-yl]carbamate
SMILESCCCCCNC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
InChIInChI=1S/C19H30N2O3/c1-4-5-9-12-20-18(22)17(13-15(2)3)21-19(23)24-14-16-10-7-6-8-11-16/h6-8,10-11,15,17H,4-5,9,12-14H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyNEVIZMFEYBWBTF-UHFFFAOYSA-N
XLogP3.63
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[4-methyl-1-oxo-1-(propylamino)pentan-2-yl]carbamate
CID 175450734
benzyl N-[(2S)-1-(3-aminopropylamino)-4-methyl-1-oxopentan-2-yl]carbamate;hydrochloride
CID 44512972
benzyl N-[1-oxo-1-(undecylamino)propan-2-yl]carbamate
CID 135363968
benzyl N-[(2S)-4-methyl-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]-1-oxopentan-2-yl]carbamate
CID 10502292
benzyl N-[(2S)-4-methyl-1-oxo-1-(2-propylhydrazinyl)pentan-2-yl]carbamate
CID 162739110
lithium [[(2S)-4-methyl-1-oxo-1-(pentylamino)pentan-2-yl]amino]-(phenylmethoxycarbonylaminomethyl)phosphinate
CID 118731672
benzyl (2S)-2-(decylcarbamoylamino)-4-methylpentanoate
CID 91350723
benzyl N-[(2S)-1-oxo-3-phenyl-1-[16-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]hexadecylamino]propan-2-yl]carbamate
CID 71491760
benzyl N-[(2S)-1-oxo-3-phenyl-1-[10-[[(2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]decylamino]propan-2-yl]carbamate
CID 99653330
benzyl N-[(2S)-1-(3,3-diethoxypropylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 59065878
(2S)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoic acid
CID 6992475
benzyl (2S)-2-[[(2R)-2-(butoxycarbonylamino)-4-methylpentanoyl]amino]-4-methylpentanoate
CID 69347942

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-methyl-1-oxo-1-(pentylamino)pentan-2-yl]carbamate?
The IUPAC name of benzyl N-[4-methyl-1-oxo-1-(pentylamino)pentan-2-yl]carbamate (CID 145029981) is benzyl N-[4-methyl-1-oxo-1-(pentylamino)pentan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[4-methyl-1-oxo-1-(pentylamino)pentan-2-yl]carbamate?
The canonical SMILES for benzyl N-[4-methyl-1-oxo-1-(pentylamino)pentan-2-yl]carbamate is CCCCCNC(=O)C(CC(C)C)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[4-methyl-1-oxo-1-(pentylamino)pentan-2-yl]carbamate?
The InChIKey is NEVIZMFEYBWBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-4-5-9-12-20-18(22)17(13-15(2)3)21-19(23)24-14-16-10-7-6-8-11-16/h6-8,10-11,15,17H,4-5,9,12-14H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of benzyl N-[4-methyl-1-oxo-1-(pentylamino)pentan-2-yl]carbamate?
benzyl N-[4-methyl-1-oxo-1-(pentylamino)pentan-2-yl]carbamate has a molecular weight of 334.46 g/mol, XLogP of 3.63, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-methyl-1-oxo-1-(pentylamino)pentan-2-yl]carbamate is sourced from PubChem (CID 145029981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).