1-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclohexane-1-carboxamide

C16H22N2O2 — CID 107221873

IUPAC1-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)N[C@H]2c3ccccc3C[C@H]2O)CCCCC1
InChIInChI=1S/C16H22N2O2/c17-16(8-4-1-5-9-16)15(20)18-14-12-7-3-2-6-11(12)10-13(14)19/h2-3,6-7,13-14,19H,1,4-5,8-10,17H2,(H,18,20)/t13-,14+/m1/s1
InChIKeyXLOWDPYPALGTAH-KGLIPLIRSA-N
MW274.36 g/mol
LogP1.42
Rot. Bonds2

About 1-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclohexane-1-carboxamide

1-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclohexane-1-carboxamide (PubChem CID 107221873) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclohexane-1-carboxamide
PubChem CID107221873
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)N[C@H]2c3ccccc3C[C@H]2O)CCCCC1
InChIInChI=1S/C16H22N2O2/c17-16(8-4-1-5-9-16)15(20)18-14-12-7-3-2-6-11(12)10-13(14)19/h2-3,6-7,13-14,19H,1,4-5,8-10,17H2,(H,18,20)/t13-,14+/m1/s1
InChIKeyXLOWDPYPALGTAH-KGLIPLIRSA-N
XLogP1.42
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxane-4-carboxamide
CID 103950748
1-(aminomethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopentane-1-carboxamide
CID 107222320
1-(aminomethyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclobutane-1-carboxamide
CID 107221770
1-(aminomethyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopropane-1-carboxamide
CID 107221819
3-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrrolidine-3-carboxamide
CID 107222234
1-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)cyclobutane-1-carboxamide
CID 81179569
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 107221780
2,2,2-trifluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 11665946
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,2-dimethylcyclohexane-1-carboxamide
CID 107180479
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)pyrrolidine-1-carboxamide
CID 112729494
1-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide
CID 43697767
(2S)-2-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 16720820

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclohexane-1-carboxamide (CID 107221873) is 1-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclohexane-1-carboxamide is NC1(C(=O)N[C@H]2c3ccccc3C[C@H]2O)CCCCC1.
What is the InChIKey of 1-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclohexane-1-carboxamide?
The InChIKey is XLOWDPYPALGTAH-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H22N2O2/c17-16(8-4-1-5-9-16)15(20)18-14-12-7-3-2-6-11(12)10-13(14)19/h2-3,6-7,13-14,19H,1,4-5,8-10,17H2,(H,18,20)/t13-,14+/m1/s1.
What are the key properties of 1-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclohexane-1-carboxamide?
1-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclohexane-1-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.42, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 107221873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).