2-(carbamoylamino)-N-(2-ethylbutyl)-3-methylpentanamide

C13H27N3O2 — CID 115613559

IUPAC2-(carbamoylamino)-N-(2-ethylbutyl)-3-methylpentanamide
SMILESCCC(CC)CNC(=O)C(NC(N)=O)C(C)CC
InChIInChI=1S/C13H27N3O2/c1-5-9(4)11(16-13(14)18)12(17)15-8-10(6-2)7-3/h9-11H,5-8H2,1-4H3,(H,15,17)(H3,14,16,18)
InChIKeyVBMOACWIPKEOSE-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.62
Rot. Bonds8

About 2-(carbamoylamino)-N-(2-ethylbutyl)-3-methylpentanamide

2-(carbamoylamino)-N-(2-ethylbutyl)-3-methylpentanamide (PubChem CID 115613559) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-(2-ethylbutyl)-3-methylpentanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-(2-ethylbutyl)-3-methylpentanamide
PubChem CID115613559
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name2-(carbamoylamino)-N-(2-ethylbutyl)-3-methylpentanamide
SMILESCCC(CC)CNC(=O)C(NC(N)=O)C(C)CC
InChIInChI=1S/C13H27N3O2/c1-5-9(4)11(16-13(14)18)12(17)15-8-10(6-2)7-3/h9-11H,5-8H2,1-4H3,(H,15,17)(H3,14,16,18)
InChIKeyVBMOACWIPKEOSE-UHFFFAOYSA-N
XLogP1.62
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(carbamoylamino)-N-[(2S)-2-hydroxypropyl]-3-methylpentanamide
CID 83029431
(2S,3S)-2-(carbamoylamino)-3-methyl-N-propylpentanamide
CID 95262479
2-(carbamoylamino)-N-(5-hydroxypentyl)-3-methylpentanamide
CID 107318472
N-(1-adamantylmethyl)-2-(carbamoylamino)-3-methylpentanamide
CID 84873517
6-[[2-(carbamoylamino)-3-methylpentanoyl]amino]hexanoic acid
CID 43352951
(2S,3R)-2-(carbamoylamino)-3-methyl-N-[(4-methylphenyl)methyl]pentanamide
CID 2671676
2-(carbamoylamino)-N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methylpentanamide
CID 103800836
2-(carbamoylamino)-3-methyl-N-[(3-methyloxetan-3-yl)methyl]pentanamide
CID 78957691
(2S,3R)-N-(4-acetamidophenyl)-2-(carbamoylamino)-3-methylpentanamide
CID 2093787
1-[[[2-(carbamoylamino)-3-methylpentanoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115445099
2-[[2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]acetic acid
CID 18221046
propyl (2S,3S)-2-(carbamoylamino)-3-methylpentanoate
CID 97170653

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-(2-ethylbutyl)-3-methylpentanamide?
The IUPAC name of 2-(carbamoylamino)-N-(2-ethylbutyl)-3-methylpentanamide (CID 115613559) is 2-(carbamoylamino)-N-(2-ethylbutyl)-3-methylpentanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-(2-ethylbutyl)-3-methylpentanamide?
The canonical SMILES for 2-(carbamoylamino)-N-(2-ethylbutyl)-3-methylpentanamide is CCC(CC)CNC(=O)C(NC(N)=O)C(C)CC.
What is the InChIKey of 2-(carbamoylamino)-N-(2-ethylbutyl)-3-methylpentanamide?
The InChIKey is VBMOACWIPKEOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-5-9(4)11(16-13(14)18)12(17)15-8-10(6-2)7-3/h9-11H,5-8H2,1-4H3,(H,15,17)(H3,14,16,18).
What are the key properties of 2-(carbamoylamino)-N-(2-ethylbutyl)-3-methylpentanamide?
2-(carbamoylamino)-N-(2-ethylbutyl)-3-methylpentanamide has a molecular weight of 257.38 g/mol, XLogP of 1.62, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-(2-ethylbutyl)-3-methylpentanamide is sourced from PubChem (CID 115613559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).