2-cycloheptyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide

C18H27NO2 — CID 102673858

IUPAC2-cycloheptyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide
SMILESO=C(CC1CCCCCC1)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C18H27NO2/c20-14-17(12-15-8-6-3-7-9-15)19-18(21)13-16-10-4-1-2-5-11-16/h3,6-9,16-17,20H,1-2,4-5,10-14H2,(H,19,21)/t17-/m0/s1
InChIKeyXADPRLLPVHNKAK-KRWDZBQOSA-N
MW289.42 g/mol
LogP3.07
Rot. Bonds6

About 2-cycloheptyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide

2-cycloheptyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide (PubChem CID 102673858) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-cycloheptyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide.

Molecular Properties

Compound Name2-cycloheptyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide
PubChem CID102673858
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-cycloheptyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide
SMILESO=C(CC1CCCCCC1)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C18H27NO2/c20-14-17(12-15-8-6-3-7-9-15)19-18(21)13-16-10-4-1-2-5-11-16/h3,6-9,16-17,20H,1-2,4-5,10-14H2,(H,19,21)/t17-/m0/s1
InChIKeyXADPRLLPVHNKAK-KRWDZBQOSA-N
XLogP3.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-cyclohexylacetyl)amino]-5-phenylpentanoic acid
CID 120546889
2-(cyclopentylamino)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]acetamide
CID 107860961
2-[(2-cyclopentylacetyl)amino]-3-phenylpropanoic acid
CID 16772049
2-cyclohexyloxy-N-(1-hydroxy-3-phenylpropan-2-yl)acetamide
CID 109388009
2-[(2-cyclohexylacetyl)amino]-3-phenylpropanamide
CID 48735757
2-(3-ethoxycyclobutyl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]acetamide
CID 107861181
N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
CID 102096047
2-(2-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-3-phenylpropan-2-yl)acetamide
CID 63261025
5-phenyl-4-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]pentanoic acid
CID 120546751
N-(1-hydroxy-3-phenylpropan-2-yl)-3-piperidin-2-ylpropanamide
CID 63261362
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)cyclohexane-1-carboxamide
CID 64824862

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide?
The IUPAC name of 2-cycloheptyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide (CID 102673858) is 2-cycloheptyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide.
What is the SMILES notation for 2-cycloheptyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide?
The canonical SMILES for 2-cycloheptyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide is O=C(CC1CCCCCC1)N[C@H](CO)Cc1ccccc1.
What is the InChIKey of 2-cycloheptyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide?
The InChIKey is XADPRLLPVHNKAK-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H27NO2/c20-14-17(12-15-8-6-3-7-9-15)19-18(21)13-16-10-4-1-2-5-11-16/h3,6-9,16-17,20H,1-2,4-5,10-14H2,(H,19,21)/t17-/m0/s1.
What are the key properties of 2-cycloheptyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide?
2-cycloheptyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide has a molecular weight of 289.42 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide is sourced from PubChem (CID 102673858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).