N-carbamoyl-2-[(2-hydroxy-4-methylpentyl)amino]propanamide

C10H21N3O3 — CID 107152658

IUPACN-carbamoyl-2-[(2-hydroxy-4-methylpentyl)amino]propanamide
SMILESCC(C)CC(O)CNC(C)C(=O)NC(N)=O
InChIInChI=1S/C10H21N3O3/c1-6(2)4-8(14)5-12-7(3)9(15)13-10(11)16/h6-8,12,14H,4-5H2,1-3H3,(H3,11,13,15,16)
InChIKeyOFBWXBLZZAWMPJ-UHFFFAOYSA-N
MW231.30 g/mol
LogP-0.43
Rot. Bonds6

About N-carbamoyl-2-[(2-hydroxy-4-methylpentyl)amino]propanamide

N-carbamoyl-2-[(2-hydroxy-4-methylpentyl)amino]propanamide (PubChem CID 107152658) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-carbamoyl-2-[(2-hydroxy-4-methylpentyl)amino]propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-[(2-hydroxy-4-methylpentyl)amino]propanamide
PubChem CID107152658
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC NameN-carbamoyl-2-[(2-hydroxy-4-methylpentyl)amino]propanamide
SMILESCC(C)CC(O)CNC(C)C(=O)NC(N)=O
InChIInChI=1S/C10H21N3O3/c1-6(2)4-8(14)5-12-7(3)9(15)13-10(11)16/h6-8,12,14H,4-5H2,1-3H3,(H3,11,13,15,16)
InChIKeyOFBWXBLZZAWMPJ-UHFFFAOYSA-N
XLogP-0.43
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
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 ≤ 104

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Related Compounds

N-carbamoyl-2-(2,3-dimethylbutylamino)propanamide
CID 64569124
N'-hydroxy-2-[(2-hydroxy-4-methylpentyl)amino]propanimidamide
CID 107153055
N-carbamoyl-2-(2,3,3-trimethylbutylamino)propanamide
CID 83144225
N-carbamoyl-2-(methylamino)propanamide
CID 43086023
N-carbamoyl-2-(3-hydroxypropylamino)propanamide
CID 43392786
N-carbamoyl-2-(3-methylbut-2-enylamino)propanamide
CID 103520475
3-amino-N-(2-hydroxy-4-methylpentyl)-2-methylbutanamide
CID 103581045
2-(2,3-dihydroxypropylamino)-N-(ethylcarbamoyl)propanamide
CID 66171216
N-carbamoyl-2-[(3-hydroxy-2,2-dimethylpropyl)amino]propanamide
CID 115359996
4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]butanoic acid
CID 43473366
methyl 3-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]propanoate
CID 60672495
N-carbamoyl-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]propanamide
CID 79359281

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[(2-hydroxy-4-methylpentyl)amino]propanamide?
The IUPAC name of N-carbamoyl-2-[(2-hydroxy-4-methylpentyl)amino]propanamide (CID 107152658) is N-carbamoyl-2-[(2-hydroxy-4-methylpentyl)amino]propanamide.
What is the SMILES notation for N-carbamoyl-2-[(2-hydroxy-4-methylpentyl)amino]propanamide?
The canonical SMILES for N-carbamoyl-2-[(2-hydroxy-4-methylpentyl)amino]propanamide is CC(C)CC(O)CNC(C)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-[(2-hydroxy-4-methylpentyl)amino]propanamide?
The InChIKey is OFBWXBLZZAWMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-6(2)4-8(14)5-12-7(3)9(15)13-10(11)16/h6-8,12,14H,4-5H2,1-3H3,(H3,11,13,15,16).
What are the key properties of N-carbamoyl-2-[(2-hydroxy-4-methylpentyl)amino]propanamide?
N-carbamoyl-2-[(2-hydroxy-4-methylpentyl)amino]propanamide has a molecular weight of 231.30 g/mol, XLogP of -0.43, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[(2-hydroxy-4-methylpentyl)amino]propanamide is sourced from PubChem (CID 107152658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).