2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-N,N-dimethylpropanamide

C13H26N2O3 — CID 54950826

IUPAC2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-N,N-dimethylpropanamide
SMILESCC(NCC(O)COC1CCCC1)C(=O)N(C)C
InChIInChI=1S/C13H26N2O3/c1-10(13(17)15(2)3)14-8-11(16)9-18-12-6-4-5-7-12/h10-12,14,16H,4-9H2,1-3H3
InChIKeyPNKVXWQNVIHYPN-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.37
Rot. Bonds7

About 2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-N,N-dimethylpropanamide

2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-N,N-dimethylpropanamide (PubChem CID 54950826) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-N,N-dimethylpropanamide
PubChem CID54950826
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-N,N-dimethylpropanamide
SMILESCC(NCC(O)COC1CCCC1)C(=O)N(C)C
InChIInChI=1S/C13H26N2O3/c1-10(13(17)15(2)3)14-8-11(16)9-18-12-6-4-5-7-12/h10-12,14,16H,4-9H2,1-3H3
InChIKeyPNKVXWQNVIHYPN-UHFFFAOYSA-N
XLogP0.37
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-N-ethyl-N-methylpropanamide
CID 103108529
ethyl 2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]propanoate
CID 54960187
ethyl 2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]propanoate
CID 61499198
1-cyclopentyloxy-3-[4-(dimethylamino)butan-2-ylamino]propan-2-ol
CID 54963637
(E)-but-2-enedioic acid;1-cyclooctyloxy-3-(propan-2-ylamino)propan-2-ol
CID 6447189
1-[[(1S)-1-cycloheptylethyl]amino]-3-cyclopentyloxypropan-2-ol
CID 81391866
3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]butan-1-ol
CID 83178126
2-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]propanamide
CID 54938859
2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-2-methylpropanamide
CID 61218646
1-cyclohexyloxy-3-(hexan-2-ylamino)propan-2-ol
CID 55049964
[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]cyclohexyl]methyl propanoate
CID 140578719
1-cyclopentyloxy-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 55251514

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-N,N-dimethylpropanamide (CID 54950826) is 2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-N,N-dimethylpropanamide is CC(NCC(O)COC1CCCC1)C(=O)N(C)C.
What is the InChIKey of 2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-N,N-dimethylpropanamide?
The InChIKey is PNKVXWQNVIHYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-10(13(17)15(2)3)14-8-11(16)9-18-12-6-4-5-7-12/h10-12,14,16H,4-9H2,1-3H3.
What are the key properties of 2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-N,N-dimethylpropanamide?
2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-N,N-dimethylpropanamide has a molecular weight of 258.36 g/mol, XLogP of 0.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 54950826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).