3-[2-hydroxypropyl(propan-2-yl)amino]-N-methylpropanamide

C10H22N2O2 — CID 111107973

IUPAC3-[2-hydroxypropyl(propan-2-yl)amino]-N-methylpropanamide
SMILESCNC(=O)CCN(CC(C)O)C(C)C
InChIInChI=1S/C10H22N2O2/c1-8(2)12(7-9(3)13)6-5-10(14)11-4/h8-9,13H,5-7H2,1-4H3,(H,11,14)
InChIKeyFGRDJYPNDSNLKI-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.21
Rot. Bonds6

About 3-[2-hydroxypropyl(propan-2-yl)amino]-N-methylpropanamide

3-[2-hydroxypropyl(propan-2-yl)amino]-N-methylpropanamide (PubChem CID 111107973) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-[2-hydroxypropyl(propan-2-yl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[2-hydroxypropyl(propan-2-yl)amino]-N-methylpropanamide
PubChem CID111107973
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name3-[2-hydroxypropyl(propan-2-yl)amino]-N-methylpropanamide
SMILESCNC(=O)CCN(CC(C)O)C(C)C
InChIInChI=1S/C10H22N2O2/c1-8(2)12(7-9(3)13)6-5-10(14)11-4/h8-9,13H,5-7H2,1-4H3,(H,11,14)
InChIKeyFGRDJYPNDSNLKI-UHFFFAOYSA-N
XLogP0.21
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-(methylamino)-3-oxopropyl]-propan-2-ylamino]butanoic acid
CID 62324292
(2R)-1-[propan-2-yl(propyl)amino]propan-2-ol
CID 103934934
4-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]pentanamide
CID 106813309
3-methyl-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]butanoic acid
CID 106916209
2,3-dimethyl-4-[methyl-[3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 106914932
3-[methyl-[3-(methylamino)-3-oxopropyl]amino]butanoic acid
CID 106916227
3-[(1-amino-1-sulfanylidenepropan-2-yl)-methylamino]-N-methylpropanamide
CID 62324423
N-methyl-3-[methyl-[3-(propan-2-ylamino)propyl]amino]propanamide
CID 106915767
3-[2-aminoethyl(methyl)amino]-N-methylpropanamide
CID 58105370
methyl 2-[[3-(methylcarbamoylamino)-3-oxopropyl]-propan-2-ylamino]acetate
CID 62025905
N-methyl-2-[methyl(propan-2-yl)amino]acetamide
CID 89311183
3-[3-methylbutyl(propan-2-yl)amino]propanoic acid
CID 60840337

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxypropyl(propan-2-yl)amino]-N-methylpropanamide?
The IUPAC name of 3-[2-hydroxypropyl(propan-2-yl)amino]-N-methylpropanamide (CID 111107973) is 3-[2-hydroxypropyl(propan-2-yl)amino]-N-methylpropanamide.
What is the SMILES notation for 3-[2-hydroxypropyl(propan-2-yl)amino]-N-methylpropanamide?
The canonical SMILES for 3-[2-hydroxypropyl(propan-2-yl)amino]-N-methylpropanamide is CNC(=O)CCN(CC(C)O)C(C)C.
What is the InChIKey of 3-[2-hydroxypropyl(propan-2-yl)amino]-N-methylpropanamide?
The InChIKey is FGRDJYPNDSNLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-8(2)12(7-9(3)13)6-5-10(14)11-4/h8-9,13H,5-7H2,1-4H3,(H,11,14).
What are the key properties of 3-[2-hydroxypropyl(propan-2-yl)amino]-N-methylpropanamide?
3-[2-hydroxypropyl(propan-2-yl)amino]-N-methylpropanamide has a molecular weight of 202.30 g/mol, XLogP of 0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxypropyl(propan-2-yl)amino]-N-methylpropanamide is sourced from PubChem (CID 111107973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).