2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-N-ethyl-N-methylpropanamide

C14H28N2O3 — CID 103108529

IUPAC2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NCC(O)COC1CCCC1
InChIInChI=1S/C14H28N2O3/c1-4-16(3)14(18)11(2)15-9-12(17)10-19-13-7-5-6-8-13/h11-13,15,17H,4-10H2,1-3H3
InChIKeyCMHDGONFQOLODD-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.76
Rot. Bonds8

About 2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-N-ethyl-N-methylpropanamide

2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-N-ethyl-N-methylpropanamide (PubChem CID 103108529) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-N-ethyl-N-methylpropanamide
PubChem CID103108529
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NCC(O)COC1CCCC1
InChIInChI=1S/C14H28N2O3/c1-4-16(3)14(18)11(2)15-9-12(17)10-19-13-7-5-6-8-13/h11-13,15,17H,4-10H2,1-3H3
InChIKeyCMHDGONFQOLODD-UHFFFAOYSA-N
XLogP0.76
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-N,N-dimethylpropanamide
CID 54950826
ethyl 2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]propanoate
CID 54960187
ethyl 2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]propanoate
CID 61499198
2-[(3-butoxy-2-hydroxypropyl)amino]-N-ethyl-N-methylpropanamide
CID 107263156
(E)-but-2-enedioic acid;1-cyclooctyloxy-3-(propan-2-ylamino)propan-2-ol
CID 6447189
N-ethyl-2-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-N-methylpropanamide
CID 106990635
2-(cycloheptylmethylamino)-N-ethyl-N-methylpropanamide
CID 103107981
1-cyclopentyloxy-3-[4-(dimethylamino)butan-2-ylamino]propan-2-ol
CID 54963637
2-(cyclopropylmethylamino)-N-ethyl-N-methylpropanamide
CID 103106979
1-[[(1S)-1-cycloheptylethyl]amino]-3-cyclopentyloxypropan-2-ol
CID 81391866
1-cyclohexyloxy-3-(hexan-2-ylamino)propan-2-ol
CID 55049964
1-cyclopentyloxy-3-[2-[ethyl(methyl)amino]ethylamino]propan-2-ol
CID 62636791

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-N-ethyl-N-methylpropanamide (CID 103108529) is 2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-N-ethyl-N-methylpropanamide is CCN(C)C(=O)C(C)NCC(O)COC1CCCC1.
What is the InChIKey of 2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-N-ethyl-N-methylpropanamide?
The InChIKey is CMHDGONFQOLODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-4-16(3)14(18)11(2)15-9-12(17)10-19-13-7-5-6-8-13/h11-13,15,17H,4-10H2,1-3H3.
What are the key properties of 2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-N-ethyl-N-methylpropanamide?
2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-N-ethyl-N-methylpropanamide has a molecular weight of 272.39 g/mol, XLogP of 0.76, 8 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-ethyl-N-methylpropanamide is sourced from PubChem (CID 103108529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).