N,N-diethyl-2-[[(1S,2S)-2-hydroxycyclopentyl]amino]propanamide

C12H24N2O2 — CID 102734004

IUPACN,N-diethyl-2-[[(1S,2S)-2-hydroxycyclopentyl]amino]propanamide
SMILESCCN(CC)C(=O)C(C)N[C@H]1CCC[C@@H]1O
InChIInChI=1S/C12H24N2O2/c1-4-14(5-2)12(16)9(3)13-10-7-6-8-11(10)15/h9-11,13,15H,4-8H2,1-3H3/t9?,10-,11-/m0/s1
InChIKeySKMCGXIVJCPOMC-DVRYWGNFSA-N
MW228.34 g/mol
LogP0.75
Rot. Bonds5

About N,N-diethyl-2-[[(1S,2S)-2-hydroxycyclopentyl]amino]propanamide

N,N-diethyl-2-[[(1S,2S)-2-hydroxycyclopentyl]amino]propanamide (PubChem CID 102734004) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N,N-diethyl-2-[[(1S,2S)-2-hydroxycyclopentyl]amino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-2-[[(1S,2S)-2-hydroxycyclopentyl]amino]propanamide
PubChem CID102734004
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN,N-diethyl-2-[[(1S,2S)-2-hydroxycyclopentyl]amino]propanamide
SMILESCCN(CC)C(=O)C(C)N[C@H]1CCC[C@@H]1O
InChIInChI=1S/C12H24N2O2/c1-4-14(5-2)12(16)9(3)13-10-7-6-8-11(10)15/h9-11,13,15H,4-8H2,1-3H3/t9?,10-,11-/m0/s1
InChIKeySKMCGXIVJCPOMC-DVRYWGNFSA-N
XLogP0.75
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-hydroxycyclohexyl)amino]-N,N-dimethylpropanamide
CID 61464464
N,N-diethyl-2-[(2-methylsulfanylcyclohexyl)amino]propanamide
CID 113260733
2-[(2,6-dimethylcyclohexyl)amino]-N,N-diethylpropanamide
CID 43739395
2-(cyclopropylamino)-N,N-diethylpropanamide
CID 43113043
2-(cycloheptylamino)-N,N-diethylpropanamide
CID 43132181
N,N-diethyl-2-[(2-methyloxolan-3-yl)amino]propanamide
CID 115337064
N-tert-butyl-2-[[(1S,2S)-2-hydroxycyclopentyl]amino]propanamide
CID 102733998
3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxylic acid
CID 63044247
N,N-diethyl-2-[(3-propan-2-ylcyclobutyl)amino]propanamide
CID 103561513
trans-(1R,2R)-2-(3-ethylpentan-2-ylamino)cyclopentan-1-ol
CID 102733490
2-(1-cyclopentylethylamino)-N,N-diethylpropanamide
CID 62631567
N,N-diethyl-2-[(3-methoxycyclohexyl)amino]propanamide
CID 112703045

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[[(1S,2S)-2-hydroxycyclopentyl]amino]propanamide?
The IUPAC name of N,N-diethyl-2-[[(1S,2S)-2-hydroxycyclopentyl]amino]propanamide (CID 102734004) is N,N-diethyl-2-[[(1S,2S)-2-hydroxycyclopentyl]amino]propanamide.
What is the SMILES notation for N,N-diethyl-2-[[(1S,2S)-2-hydroxycyclopentyl]amino]propanamide?
The canonical SMILES for N,N-diethyl-2-[[(1S,2S)-2-hydroxycyclopentyl]amino]propanamide is CCN(CC)C(=O)C(C)N[C@H]1CCC[C@@H]1O.
What is the InChIKey of N,N-diethyl-2-[[(1S,2S)-2-hydroxycyclopentyl]amino]propanamide?
The InChIKey is SKMCGXIVJCPOMC-DVRYWGNFSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-14(5-2)12(16)9(3)13-10-7-6-8-11(10)15/h9-11,13,15H,4-8H2,1-3H3/t9?,10-,11-/m0/s1.
What are the key properties of N,N-diethyl-2-[[(1S,2S)-2-hydroxycyclopentyl]amino]propanamide?
N,N-diethyl-2-[[(1S,2S)-2-hydroxycyclopentyl]amino]propanamide has a molecular weight of 228.34 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[[(1S,2S)-2-hydroxycyclopentyl]amino]propanamide is sourced from PubChem (CID 102734004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).