N-(3-hydroxypropyl)-2-methyl-N-propan-2-ylpropanamide

C10H21NO2 — CID 61040005

IUPACN-(3-hydroxypropyl)-2-methyl-N-propan-2-ylpropanamide
SMILESCC(C)C(=O)N(CCCO)C(C)C
InChIInChI=1S/C10H21NO2/c1-8(2)10(13)11(9(3)4)6-5-7-12/h8-9,12H,5-7H2,1-4H3
InChIKeyPCISINMCXBRUCI-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.26
Rot. Bonds5

About N-(3-hydroxypropyl)-2-methyl-N-propan-2-ylpropanamide

N-(3-hydroxypropyl)-2-methyl-N-propan-2-ylpropanamide (PubChem CID 61040005) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2-methyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2-methyl-N-propan-2-ylpropanamide
PubChem CID61040005
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC NameN-(3-hydroxypropyl)-2-methyl-N-propan-2-ylpropanamide
SMILESCC(C)C(=O)N(CCCO)C(C)C
InChIInChI=1S/C10H21NO2/c1-8(2)10(13)11(9(3)4)6-5-7-12/h8-9,12H,5-7H2,1-4H3
InChIKeyPCISINMCXBRUCI-UHFFFAOYSA-N
XLogP1.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-hydroxypropyl)-2-methyl-N-propan-2-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-hydroxypropyl)-1-propan-2-ylurea
CID 61040269
(2S)-2-amino-N-(3-hydroxypropyl)-3,3-dimethyl-N-propan-2-ylbutanamide
CID 61158175
N-(3-hydroxypropyl)-N-propan-2-ylpentanamide
CID 61039653
N-ethyl-2-methyl-N-propan-2-ylpropanamide
CID 157175110
ethyl 2-[3-hydroxypropyl(propan-2-yl)carbamoyl]-3,3-dimethylbutanoate
CID 116537917
N-(3-hydroxypropyl)-2-phenyl-N-propan-2-ylbutanamide
CID 54917384
2,3,4,5,6-pentafluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 61040258
N-(3-hydroxypropyl)-2-phenylmethoxy-N-propan-2-ylpropanamide
CID 61039574
2-amino-3-(4-hydroxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide
CID 76893980
N-(3-hydroxypropyl)-N-propan-2-ylcyclooctanecarboxamide
CID 65023347
3-[[3-hydroxypropyl(propan-2-yl)carbamoyl]-methylamino]-2-methylpropanoic acid
CID 55007333
5-[3-hydroxypropyl(propan-2-yl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 62934926

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-2-methyl-N-propan-2-ylpropanamide?
The IUPAC name of N-(3-hydroxypropyl)-2-methyl-N-propan-2-ylpropanamide (CID 61040005) is N-(3-hydroxypropyl)-2-methyl-N-propan-2-ylpropanamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2-methyl-N-propan-2-ylpropanamide?
The canonical SMILES for N-(3-hydroxypropyl)-2-methyl-N-propan-2-ylpropanamide is CC(C)C(=O)N(CCCO)C(C)C.
What is the InChIKey of N-(3-hydroxypropyl)-2-methyl-N-propan-2-ylpropanamide?
The InChIKey is PCISINMCXBRUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-8(2)10(13)11(9(3)4)6-5-7-12/h8-9,12H,5-7H2,1-4H3.
What are the key properties of N-(3-hydroxypropyl)-2-methyl-N-propan-2-ylpropanamide?
N-(3-hydroxypropyl)-2-methyl-N-propan-2-ylpropanamide has a molecular weight of 187.28 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2-methyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 61040005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).