N-[3-[1-[[(1S,2S)-2-hydroxycyclohexyl]amino]ethyl]phenyl]acetamide

C16H24N2O2 — CID 104956122

IUPACN-[3-[1-[[(1S,2S)-2-hydroxycyclohexyl]amino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)N[C@H]2CCCC[C@@H]2O)c1
InChIInChI=1S/C16H24N2O2/c1-11(17-15-8-3-4-9-16(15)20)13-6-5-7-14(10-13)18-12(2)19/h5-7,10-11,15-17,20H,3-4,8-9H2,1-2H3,(H,18,19)/t11?,15-,16-/m0/s1
InChIKeyPKHXAKSERPIFIN-BPWRPNSKSA-N
MW276.38 g/mol
LogP2.60
Rot. Bonds4

About N-[3-[1-[[(1S,2S)-2-hydroxycyclohexyl]amino]ethyl]phenyl]acetamide

N-[3-[1-[[(1S,2S)-2-hydroxycyclohexyl]amino]ethyl]phenyl]acetamide (PubChem CID 104956122) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[3-[1-[[(1S,2S)-2-hydroxycyclohexyl]amino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[[(1S,2S)-2-hydroxycyclohexyl]amino]ethyl]phenyl]acetamide
PubChem CID104956122
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[3-[1-[[(1S,2S)-2-hydroxycyclohexyl]amino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)N[C@H]2CCCC[C@@H]2O)c1
InChIInChI=1S/C16H24N2O2/c1-11(17-15-8-3-4-9-16(15)20)13-6-5-7-14(10-13)18-12(2)19/h5-7,10-11,15-17,20H,3-4,8-9H2,1-2H3,(H,18,19)/t11?,15-,16-/m0/s1
InChIKeyPKHXAKSERPIFIN-BPWRPNSKSA-N
XLogP2.60
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[1-[(2-hydroxycycloheptyl)amino]ethyl]phenyl]acetamide
CID 60980286
2-[1-(3-acetamidophenyl)ethylamino]cyclobutane-1-carboxylic acid
CID 103240431
N-[3-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenyl]acetamide
CID 43752163
1-(2-hydroxycyclohexyl)-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 62359300
trans-(1S,2S)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]cyclohexan-1-ol
CID 93419082
trans-(1S,2S)-2-[1-(3-chlorophenyl)ethylamino]cyclohexan-1-ol
CID 104956148
N-[3-[1-[[(1S)-1-cyclopentylethyl]amino]ethyl]phenyl]acetamide
CID 81386672
N-[3-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]phenyl]acetamide
CID 115708260
N-[1-(3-acetamidophenyl)ethyl]cyclohexanecarboxamide
CID 46580283
N-[3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]phenyl]acetamide
CID 43206478
3-[1-[(2-hydroxycyclohexyl)amino]ethyl]benzenesulfonamide
CID 62360873
N-[3-[1-[(3-methylcyclopentyl)amino]ethyl]phenyl]acetamide
CID 64500396

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[[(1S,2S)-2-hydroxycyclohexyl]amino]ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[[(1S,2S)-2-hydroxycyclohexyl]amino]ethyl]phenyl]acetamide (CID 104956122) is N-[3-[1-[[(1S,2S)-2-hydroxycyclohexyl]amino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[[(1S,2S)-2-hydroxycyclohexyl]amino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[[(1S,2S)-2-hydroxycyclohexyl]amino]ethyl]phenyl]acetamide is CC(=O)Nc1cccc(C(C)N[C@H]2CCCC[C@@H]2O)c1.
What is the InChIKey of N-[3-[1-[[(1S,2S)-2-hydroxycyclohexyl]amino]ethyl]phenyl]acetamide?
The InChIKey is PKHXAKSERPIFIN-BPWRPNSKSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11(17-15-8-3-4-9-16(15)20)13-6-5-7-14(10-13)18-12(2)19/h5-7,10-11,15-17,20H,3-4,8-9H2,1-2H3,(H,18,19)/t11?,15-,16-/m0/s1.
What are the key properties of N-[3-[1-[[(1S,2S)-2-hydroxycyclohexyl]amino]ethyl]phenyl]acetamide?
N-[3-[1-[[(1S,2S)-2-hydroxycyclohexyl]amino]ethyl]phenyl]acetamide has a molecular weight of 276.38 g/mol, XLogP of 2.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[[(1S,2S)-2-hydroxycyclohexyl]amino]ethyl]phenyl]acetamide is sourced from PubChem (CID 104956122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).