2-(carbamoylamino)-N-(1-hydroxypentan-3-yl)-3-methylbutanamide

C11H23N3O3 — CID 113341041

IUPAC2-(carbamoylamino)-N-(1-hydroxypentan-3-yl)-3-methylbutanamide
SMILESCCC(CCO)NC(=O)C(NC(N)=O)C(C)C
InChIInChI=1S/C11H23N3O3/c1-4-8(5-6-15)13-10(16)9(7(2)3)14-11(12)17/h7-9,15H,4-6H2,1-3H3,(H,13,16)(H3,12,14,17)
InChIKeyWXBSFGQENMSJOR-UHFFFAOYSA-N
MW245.32 g/mol
LogP-0.04
Rot. Bonds7

About 2-(carbamoylamino)-N-(1-hydroxypentan-3-yl)-3-methylbutanamide

2-(carbamoylamino)-N-(1-hydroxypentan-3-yl)-3-methylbutanamide (PubChem CID 113341041) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-(1-hydroxypentan-3-yl)-3-methylbutanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-(1-hydroxypentan-3-yl)-3-methylbutanamide
PubChem CID113341041
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC Name2-(carbamoylamino)-N-(1-hydroxypentan-3-yl)-3-methylbutanamide
SMILESCCC(CCO)NC(=O)C(NC(N)=O)C(C)C
InChIInChI=1S/C11H23N3O3/c1-4-8(5-6-15)13-10(16)9(7(2)3)14-11(12)17/h7-9,15H,4-6H2,1-3H3,(H,13,16)(H3,12,14,17)
InChIKeyWXBSFGQENMSJOR-UHFFFAOYSA-N
XLogP-0.04
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 5-0.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-(carbamoylamino)-N-[(2S)-1-hydroxybutan-2-yl]-3-methylbutanamide
CID 104981125
2-(carbamoylamino)-N-(1,3-dihydroxypropan-2-yl)-3-methylbutanamide
CID 65312871
N-[1-(1-hydroxypentan-3-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 109479000
(2S)-2-[[2-(carbamoylamino)-3-methylpentanoyl]amino]-4-hydroxybutanoic acid
CID 114004858
2-(carbamoylamino)-N-(4-hydroxybutyl)-3-methylbutanamide
CID 106843387
2-[[2-(carbamoylamino)-3-methylbutanoyl]amino]-3-hydroxypropanoic acid
CID 43357852
(2R)-2-(carbamoylamino)-3-methyl-N-(3-methylbutyl)butanamide
CID 35138595
2,2-difluoro-N-(1-hydroxypentan-3-yl)acetamide
CID 103513993
2-(carbamoylamino)-N-(1-hydroxypentan-3-yl)-2-phenylacetamide
CID 115776830
2-cyano-N-(1-hydroxypentan-3-yl)propanamide
CID 115767204
[(2S)-1-hydrazinyl-3-methyl-1-oxobutan-2-yl]urea
CID 91973991
N-(1,4-dihydroxybutan-2-yl)-2-methylbutanamide
CID 59861010

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-(1-hydroxypentan-3-yl)-3-methylbutanamide?
The IUPAC name of 2-(carbamoylamino)-N-(1-hydroxypentan-3-yl)-3-methylbutanamide (CID 113341041) is 2-(carbamoylamino)-N-(1-hydroxypentan-3-yl)-3-methylbutanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-(1-hydroxypentan-3-yl)-3-methylbutanamide?
The canonical SMILES for 2-(carbamoylamino)-N-(1-hydroxypentan-3-yl)-3-methylbutanamide is CCC(CCO)NC(=O)C(NC(N)=O)C(C)C.
What is the InChIKey of 2-(carbamoylamino)-N-(1-hydroxypentan-3-yl)-3-methylbutanamide?
The InChIKey is WXBSFGQENMSJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-4-8(5-6-15)13-10(16)9(7(2)3)14-11(12)17/h7-9,15H,4-6H2,1-3H3,(H,13,16)(H3,12,14,17).
What are the key properties of 2-(carbamoylamino)-N-(1-hydroxypentan-3-yl)-3-methylbutanamide?
2-(carbamoylamino)-N-(1-hydroxypentan-3-yl)-3-methylbutanamide has a molecular weight of 245.32 g/mol, XLogP of -0.04, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-(1-hydroxypentan-3-yl)-3-methylbutanamide is sourced from PubChem (CID 113341041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).