2-(carbamoylamino)-N-(5-hydroxypentyl)-N-methylpropanamide

C10H21N3O3 — CID 107202680

IUPAC2-(carbamoylamino)-N-(5-hydroxypentyl)-N-methylpropanamide
SMILESCC(NC(N)=O)C(=O)N(C)CCCCCO
InChIInChI=1S/C10H21N3O3/c1-8(12-10(11)16)9(15)13(2)6-4-3-5-7-14/h8,14H,3-7H2,1-2H3,(H3,11,12,16)
InChIKeyCMAUFQOHFUDLTI-UHFFFAOYSA-N
MW231.30 g/mol
LogP-0.34
Rot. Bonds7

About 2-(carbamoylamino)-N-(5-hydroxypentyl)-N-methylpropanamide

2-(carbamoylamino)-N-(5-hydroxypentyl)-N-methylpropanamide (PubChem CID 107202680) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-(5-hydroxypentyl)-N-methylpropanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-(5-hydroxypentyl)-N-methylpropanamide
PubChem CID107202680
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC Name2-(carbamoylamino)-N-(5-hydroxypentyl)-N-methylpropanamide
SMILESCC(NC(N)=O)C(=O)N(C)CCCCCO
InChIInChI=1S/C10H21N3O3/c1-8(12-10(11)16)9(15)13(2)6-4-3-5-7-14/h8,14H,3-7H2,1-2H3,(H3,11,12,16)
InChIKeyCMAUFQOHFUDLTI-UHFFFAOYSA-N
XLogP-0.34
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-(5-hydroxypentyl)-N-methylpropanamide
CID 107199234
methyl 4-[2-(carbamoylamino)propanoyl-methylamino]butanoate
CID 54943017
N-(3-amino-4-methylpentyl)-2-(carbamoylamino)-N-methylpropanamide
CID 119658379
4-[5-hydroxypentyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 107198553
2-(carbamoylamino)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide
CID 43573322
2-acetamido-N-(2-hydroxyethyl)-N-methylpropanamide
CID 60670692
2-(carbamoylamino)-N-ethyl-N-(2-hydroxyethyl)propanamide
CID 60958324
N-(5-hydroxypentyl)-N-methyl-2-propylpentanamide
CID 107202800
(2R)-2-(carbamoylamino)-N-methyl-N-[2-(N-methylanilino)ethyl]propanamide
CID 95616247
5-hydroxypentyl(methyl)carbamic acid
CID 90197062
3-amino-N-(5-hydroxypentyl)-N,2-dimethyl-3-phenylpropanamide
CID 107199250
3-[5-hydroxypentyl(methyl)amino]-2-methylpropanamide
CID 107204205

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-(5-hydroxypentyl)-N-methylpropanamide?
The IUPAC name of 2-(carbamoylamino)-N-(5-hydroxypentyl)-N-methylpropanamide (CID 107202680) is 2-(carbamoylamino)-N-(5-hydroxypentyl)-N-methylpropanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-(5-hydroxypentyl)-N-methylpropanamide?
The canonical SMILES for 2-(carbamoylamino)-N-(5-hydroxypentyl)-N-methylpropanamide is CC(NC(N)=O)C(=O)N(C)CCCCCO.
What is the InChIKey of 2-(carbamoylamino)-N-(5-hydroxypentyl)-N-methylpropanamide?
The InChIKey is CMAUFQOHFUDLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-8(12-10(11)16)9(15)13(2)6-4-3-5-7-14/h8,14H,3-7H2,1-2H3,(H3,11,12,16).
What are the key properties of 2-(carbamoylamino)-N-(5-hydroxypentyl)-N-methylpropanamide?
2-(carbamoylamino)-N-(5-hydroxypentyl)-N-methylpropanamide has a molecular weight of 231.30 g/mol, XLogP of -0.34, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-(5-hydroxypentyl)-N-methylpropanamide is sourced from PubChem (CID 107202680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).