2-(carbamoylamino)-N-ethyl-4-methylpentanamide

C9H19N3O2 — CID 60636503

IUPAC2-(carbamoylamino)-N-ethyl-4-methylpentanamide
SMILESCCNC(=O)C(CC(C)C)NC(N)=O
InChIInChI=1S/C9H19N3O2/c1-4-11-8(13)7(5-6(2)3)12-9(10)14/h6-7H,4-5H2,1-3H3,(H,11,13)(H3,10,12,14)
InChIKeyLSXNAJOUULFXGX-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.21
Rot. Bonds5

About 2-(carbamoylamino)-N-ethyl-4-methylpentanamide

2-(carbamoylamino)-N-ethyl-4-methylpentanamide (PubChem CID 60636503) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-ethyl-4-methylpentanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-ethyl-4-methylpentanamide
PubChem CID60636503
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name2-(carbamoylamino)-N-ethyl-4-methylpentanamide
SMILESCCNC(=O)C(CC(C)C)NC(N)=O
InChIInChI=1S/C9H19N3O2/c1-4-11-8(13)7(5-6(2)3)12-9(10)14/h6-7H,4-5H2,1-3H3,(H,11,13)(H3,10,12,14)
InChIKeyLSXNAJOUULFXGX-UHFFFAOYSA-N
XLogP0.21
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2-hydroxy-3-oxopropyl)-2-(carbamoylamino)-4-methylpentanamide
CID 114152761
N-ethyl-4-methyl-2-(methylamino)pentanamide
CID 155260519
ethyl 4-[[2-(carbamoylamino)-4-methylpentanoyl]amino]butanoate
CID 60637444
2-(carbamoylamino)-N-(1-hydroxybutan-2-yl)-4-methylpentanamide
CID 43428008
2-(carbamoylamino)-N-[(2R)-1-hydroxybutan-2-yl]-4-methylpentanamide
CID 113498876
tert-butyl N-[(2S)-1-(ethylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 7038768
2-(carbamoylamino)-N-[[4-(hydroxymethyl)phenyl]methyl]-4-methylpentanamide
CID 107232747
2-(carbamoylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylpentanamide
CID 107847321
2-amino-N-[1-(ethylamino)-1-oxobutan-2-yl]-4-methylpentanamide
CID 85264464
5-amino-2-[[2-(carbamoylamino)-4-methylpentanoyl]amino]-5-oxopentanoic acid
CID 43358642
(2R)-2-[2-(carbamoylamino)propanoylamino]-4-methylpentanoic acid
CID 78975508
2-(carbamoylamino)-N-(1-hydroxy-2-methylpropan-2-yl)-4-methylpentanamide
CID 43500738

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-ethyl-4-methylpentanamide?
The IUPAC name of 2-(carbamoylamino)-N-ethyl-4-methylpentanamide (CID 60636503) is 2-(carbamoylamino)-N-ethyl-4-methylpentanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-ethyl-4-methylpentanamide?
The canonical SMILES for 2-(carbamoylamino)-N-ethyl-4-methylpentanamide is CCNC(=O)C(CC(C)C)NC(N)=O.
What is the InChIKey of 2-(carbamoylamino)-N-ethyl-4-methylpentanamide?
The InChIKey is LSXNAJOUULFXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-4-11-8(13)7(5-6(2)3)12-9(10)14/h6-7H,4-5H2,1-3H3,(H,11,13)(H3,10,12,14).
What are the key properties of 2-(carbamoylamino)-N-ethyl-4-methylpentanamide?
2-(carbamoylamino)-N-ethyl-4-methylpentanamide has a molecular weight of 201.27 g/mol, XLogP of 0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-ethyl-4-methylpentanamide is sourced from PubChem (CID 60636503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).