2-[cyclohexyl-[(2S)-2-hydroxypropyl]amino]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide

C17H28N2O3 — CID 98761112

IUPAC2-[cyclohexyl-[(2S)-2-hydroxypropyl]amino]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
SMILESC[C@H](O)CN(CC(=O)N[C@H](C)c1ccco1)C1CCCCC1
InChIInChI=1S/C17H28N2O3/c1-13(20)11-19(15-7-4-3-5-8-15)12-17(21)18-14(2)16-9-6-10-22-16/h6,9-10,13-15,20H,3-5,7-8,11-12H2,1-2H3,(H,18,21)/t13-,14+/m0/s1
InChIKeyVNLJBMSTFRHBDY-UONOGXRCSA-N
MW308.42 g/mol
LogP2.47
Rot. Bonds7

About 2-[cyclohexyl-[(2S)-2-hydroxypropyl]amino]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide

2-[cyclohexyl-[(2S)-2-hydroxypropyl]amino]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide (PubChem CID 98761112) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 2-[cyclohexyl-[(2S)-2-hydroxypropyl]amino]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[cyclohexyl-[(2S)-2-hydroxypropyl]amino]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
PubChem CID98761112
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name2-[cyclohexyl-[(2S)-2-hydroxypropyl]amino]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
SMILESC[C@H](O)CN(CC(=O)N[C@H](C)c1ccco1)C1CCCCC1
InChIInChI=1S/C17H28N2O3/c1-13(20)11-19(15-7-4-3-5-8-15)12-17(21)18-14(2)16-9-6-10-22-16/h6,9-10,13-15,20H,3-5,7-8,11-12H2,1-2H3,(H,18,21)/t13-,14+/m0/s1
InChIKeyVNLJBMSTFRHBDY-UONOGXRCSA-N
XLogP2.47
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclohexyl(2-hydroxypropyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 51108334
2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide
CID 111432073
2-[cyclopropyl(3-hydroxypropyl)amino]-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 95346543
N-[1-(furan-2-yl)ethyl]-2-[methyl-[4-(methylamino)cyclohexyl]amino]acetamide
CID 79118481
2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-[1-(furan-2-yl)ethyl]acetamide
CID 61231079
2-(cyclopentylamino)-N-[1-(furan-2-yl)ethyl]acetamide
CID 60686918
2-[azetidin-3-yl(propyl)amino]-N-[1-(furan-2-yl)ethyl]acetamide
CID 66216723
2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-methylamino]acetic acid
CID 43442423
N-[1-(furan-2-yl)ethyl]-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106614141
2-[cyclohexyl(2-hydroxypropyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
CID 110923577
N-[(1R)-1-(furan-2-yl)ethyl]-2-[2-hydroxyethyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 95325971
2-[cyclohexyl(2-hydroxypropyl)amino]-N-(4-methoxyphenyl)acetamide
CID 110923589

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-[(2S)-2-hydroxypropyl]amino]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide?
The IUPAC name of 2-[cyclohexyl-[(2S)-2-hydroxypropyl]amino]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide (CID 98761112) is 2-[cyclohexyl-[(2S)-2-hydroxypropyl]amino]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[cyclohexyl-[(2S)-2-hydroxypropyl]amino]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[cyclohexyl-[(2S)-2-hydroxypropyl]amino]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide is C[C@H](O)CN(CC(=O)N[C@H](C)c1ccco1)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl-[(2S)-2-hydroxypropyl]amino]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide?
The InChIKey is VNLJBMSTFRHBDY-UONOGXRCSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-13(20)11-19(15-7-4-3-5-8-15)12-17(21)18-14(2)16-9-6-10-22-16/h6,9-10,13-15,20H,3-5,7-8,11-12H2,1-2H3,(H,18,21)/t13-,14+/m0/s1.
What are the key properties of 2-[cyclohexyl-[(2S)-2-hydroxypropyl]amino]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide?
2-[cyclohexyl-[(2S)-2-hydroxypropyl]amino]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide has a molecular weight of 308.42 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-[(2S)-2-hydroxypropyl]amino]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide is sourced from PubChem (CID 98761112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).