2-(carbamoylamino)-N-(4-hydroxybutyl)-3-methylbutanamide

C10H21N3O3 — CID 106843387

IUPAC2-(carbamoylamino)-N-(4-hydroxybutyl)-3-methylbutanamide
SMILESCC(C)C(NC(N)=O)C(=O)NCCCCO
InChIInChI=1S/C10H21N3O3/c1-7(2)8(13-10(11)16)9(15)12-5-3-4-6-14/h7-8,14H,3-6H2,1-2H3,(H,12,15)(H3,11,13,16)
InChIKeyYIPTZWHPJGXOSK-UHFFFAOYSA-N
MW231.30 g/mol
LogP-0.43
Rot. Bonds7

About 2-(carbamoylamino)-N-(4-hydroxybutyl)-3-methylbutanamide

2-(carbamoylamino)-N-(4-hydroxybutyl)-3-methylbutanamide (PubChem CID 106843387) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-(4-hydroxybutyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-(4-hydroxybutyl)-3-methylbutanamide
PubChem CID106843387
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC Name2-(carbamoylamino)-N-(4-hydroxybutyl)-3-methylbutanamide
SMILESCC(C)C(NC(N)=O)C(=O)NCCCCO
InChIInChI=1S/C10H21N3O3/c1-7(2)8(13-10(11)16)9(15)12-5-3-4-6-14/h7-8,14H,3-6H2,1-2H3,(H,12,15)(H3,11,13,16)
InChIKeyYIPTZWHPJGXOSK-UHFFFAOYSA-N
XLogP-0.43
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 5-0.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(carbamoylamino)-N-(5-hydroxypentyl)-3-methylpentanamide
CID 107318472
(2R)-2-(carbamoylamino)-3-methyl-N-(3-methylbutyl)butanamide
CID 35138595
2-(carbamoylamino)-N-(1,3-dihydroxypropan-2-yl)-3-methylbutanamide
CID 65312871
3-amino-N-(6-hydroxyhexyl)-2-methylbutanamide
CID 107842431
(2R)-2-amino-N-(4-hydroxybutyl)propanamide
CID 106842086
2-(carbamoylamino)-N-(1-hydroxypentan-3-yl)-3-methylbutanamide
CID 113341041
(2S)-N-(4-hydroxybutyl)-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide
CID 126822721
benzyl N-[(2S)-1-(4-hydroxybutylamino)-3-methyl-1-oxobutan-2-yl]carbamate
CID 10687296
2-(carbamoylamino)-N-[(2S)-1-hydroxybutan-2-yl]-3-methylbutanamide
CID 104981125
2-(carbamoylamino)-3-methyl-N-prop-2-enylbutanamide
CID 60636446
4-[[(2S)-1-[4-[[(2S)-2-(3-carboxypropanoylamino)-3-methylbutanoyl]amino]butylamino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
CID 71473815
[(2S)-1-hydrazinyl-3-methyl-1-oxobutan-2-yl]urea
CID 91973991

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-(4-hydroxybutyl)-3-methylbutanamide?
The IUPAC name of 2-(carbamoylamino)-N-(4-hydroxybutyl)-3-methylbutanamide (CID 106843387) is 2-(carbamoylamino)-N-(4-hydroxybutyl)-3-methylbutanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-(4-hydroxybutyl)-3-methylbutanamide?
The canonical SMILES for 2-(carbamoylamino)-N-(4-hydroxybutyl)-3-methylbutanamide is CC(C)C(NC(N)=O)C(=O)NCCCCO.
What is the InChIKey of 2-(carbamoylamino)-N-(4-hydroxybutyl)-3-methylbutanamide?
The InChIKey is YIPTZWHPJGXOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-7(2)8(13-10(11)16)9(15)12-5-3-4-6-14/h7-8,14H,3-6H2,1-2H3,(H,12,15)(H3,11,13,16).
What are the key properties of 2-(carbamoylamino)-N-(4-hydroxybutyl)-3-methylbutanamide?
2-(carbamoylamino)-N-(4-hydroxybutyl)-3-methylbutanamide has a molecular weight of 231.30 g/mol, XLogP of -0.43, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-(4-hydroxybutyl)-3-methylbutanamide is sourced from PubChem (CID 106843387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).