N-(2-hydroxypropyl)-N-methyl-4-(propan-2-ylamino)butanamide

C11H24N2O2 — CID 62334150

IUPACN-(2-hydroxypropyl)-N-methyl-4-(propan-2-ylamino)butanamide
SMILESCC(O)CN(C)C(=O)CCCNC(C)C
InChIInChI=1S/C11H24N2O2/c1-9(2)12-7-5-6-11(15)13(4)8-10(3)14/h9-10,12,14H,5-8H2,1-4H3
InChIKeyOCBSHBRWDNUXLT-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.60
Rot. Bonds7

About N-(2-hydroxypropyl)-N-methyl-4-(propan-2-ylamino)butanamide

N-(2-hydroxypropyl)-N-methyl-4-(propan-2-ylamino)butanamide (PubChem CID 62334150) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-N-methyl-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-N-methyl-4-(propan-2-ylamino)butanamide
PubChem CID62334150
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC NameN-(2-hydroxypropyl)-N-methyl-4-(propan-2-ylamino)butanamide
SMILESCC(O)CN(C)C(=O)CCCNC(C)C
InChIInChI=1S/C11H24N2O2/c1-9(2)12-7-5-6-11(15)13(4)8-10(3)14/h9-10,12,14H,5-8H2,1-4H3
InChIKeyOCBSHBRWDNUXLT-UHFFFAOYSA-N
XLogP0.60
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(2-methylpropyl)-5-(propan-2-ylamino)pentanamide
CID 165153495
N-methyl-N-pentyl-4-(propan-2-ylamino)butanamide
CID 60850238
N-(cyclopropylmethyl)-N-methyl-4-(propan-2-ylamino)butanamide
CID 60946402
N-(2-cyanoethyl)-N-methyl-4-(propan-2-ylamino)butanamide
CID 60850594
5-hydroxy-N-(2-hydroxypropyl)-N-methylpentanamide
CID 79199467
N-benzyl-N-methyl-4-(propan-2-ylamino)butanamide
CID 60850765
N-(2-hydroxypropyl)-4-methoxy-N-methylbutanamide
CID 79543922
N-methyl-N-[4-(propan-2-ylamino)butyl]butanamide
CID 169214766
N-ethyl-N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide
CID 60850058
N-[(4-hydroxyphenyl)methyl]-N-methyl-4-(propan-2-ylamino)butanamide
CID 54873535
N-[(3-hydroxyphenyl)methyl]-N-methyl-4-(propan-2-ylamino)butanamide
CID 54874164
2-methyl-2-[methyl-[4-(propan-2-ylamino)butanoyl]amino]propanoic acid
CID 62819185

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-N-methyl-4-(propan-2-ylamino)butanamide?
The IUPAC name of N-(2-hydroxypropyl)-N-methyl-4-(propan-2-ylamino)butanamide (CID 62334150) is N-(2-hydroxypropyl)-N-methyl-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-(2-hydroxypropyl)-N-methyl-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-(2-hydroxypropyl)-N-methyl-4-(propan-2-ylamino)butanamide is CC(O)CN(C)C(=O)CCCNC(C)C.
What is the InChIKey of N-(2-hydroxypropyl)-N-methyl-4-(propan-2-ylamino)butanamide?
The InChIKey is OCBSHBRWDNUXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-9(2)12-7-5-6-11(15)13(4)8-10(3)14/h9-10,12,14H,5-8H2,1-4H3.
What are the key properties of N-(2-hydroxypropyl)-N-methyl-4-(propan-2-ylamino)butanamide?
N-(2-hydroxypropyl)-N-methyl-4-(propan-2-ylamino)butanamide has a molecular weight of 216.32 g/mol, XLogP of 0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-N-methyl-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 62334150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).