N-[4-[[(1R,3S)-3-cyanocyclohexyl]amino]-3-methoxyphenyl]acetamide

C16H21N3O2 — CID 100684548

IUPACN-[4-[[(1R,3S)-3-cyanocyclohexyl]amino]-3-methoxyphenyl]acetamide
SMILESCOc1cc(NC(C)=O)ccc1N[C@@H]1CCC[C@H](C#N)C1
InChIInChI=1S/C16H21N3O2/c1-11(20)18-14-6-7-15(16(9-14)21-2)19-13-5-3-4-12(8-13)10-17/h6-7,9,12-13,19H,3-5,8H2,1-2H3,(H,18,20)/t12-,13+/m0/s1
InChIKeyGLLMNFPOBJLORP-QWHCGFSZSA-N
MW287.36 g/mol
LogP3.15
Rot. Bonds4

About N-[4-[[(1R,3S)-3-cyanocyclohexyl]amino]-3-methoxyphenyl]acetamide

N-[4-[[(1R,3S)-3-cyanocyclohexyl]amino]-3-methoxyphenyl]acetamide (PubChem CID 100684548) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[4-[[(1R,3S)-3-cyanocyclohexyl]amino]-3-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(1R,3S)-3-cyanocyclohexyl]amino]-3-methoxyphenyl]acetamide
PubChem CID100684548
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[4-[[(1R,3S)-3-cyanocyclohexyl]amino]-3-methoxyphenyl]acetamide
SMILESCOc1cc(NC(C)=O)ccc1N[C@@H]1CCC[C@H](C#N)C1
InChIInChI=1S/C16H21N3O2/c1-11(20)18-14-6-7-15(16(9-14)21-2)19-13-5-3-4-12(8-13)10-17/h6-7,9,12-13,19H,3-5,8H2,1-2H3,(H,18,20)/t12-,13+/m0/s1
InChIKeyGLLMNFPOBJLORP-QWHCGFSZSA-N
XLogP3.15
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(3-aminocyclohexyl)amino]-2-methoxyphenyl]acetamide
CID 79458739
N-[3-[(3,5-dimethylcyclohexyl)amino]-4-methoxyphenyl]acetamide
CID 64752342
N-[4-methoxy-3-(thian-4-ylamino)phenyl]acetamide
CID 43715792
4-[(3-cyclopropylcyclohexyl)amino]-3-methoxybenzonitrile
CID 104848126
N-[3-[[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide
CID 97335336
N-(4-acetamido-3-methoxyphenyl)cyclohexanecarboxamide
CID 53491142
N-[4-[(4-hydroxycyclohexyl)amino]-2-methoxyphenyl]acetamide
CID 106593678
N-[3-(cyclohexylcarbamoylamino)-4-methoxyphenyl]acetamide
CID 4120812
N-[3-[(1,1-dioxothian-4-yl)amino]-4-methoxyphenyl]acetamide
CID 43715791
(2S)-5-amino-6-[[(1S,3S)-3-cyanocyclohexyl]amino]-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid
CID 138472629
N-[4-methoxy-3-(oxolan-3-ylamino)phenyl]acetamide
CID 63335794
N-(4-acetamido-3-methoxyphenyl)-2-aminocyclopentane-1-carboxamide
CID 64824304

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(1R,3S)-3-cyanocyclohexyl]amino]-3-methoxyphenyl]acetamide?
The IUPAC name of N-[4-[[(1R,3S)-3-cyanocyclohexyl]amino]-3-methoxyphenyl]acetamide (CID 100684548) is N-[4-[[(1R,3S)-3-cyanocyclohexyl]amino]-3-methoxyphenyl]acetamide.
What is the SMILES notation for N-[4-[[(1R,3S)-3-cyanocyclohexyl]amino]-3-methoxyphenyl]acetamide?
The canonical SMILES for N-[4-[[(1R,3S)-3-cyanocyclohexyl]amino]-3-methoxyphenyl]acetamide is COc1cc(NC(C)=O)ccc1N[C@@H]1CCC[C@H](C#N)C1.
What is the InChIKey of N-[4-[[(1R,3S)-3-cyanocyclohexyl]amino]-3-methoxyphenyl]acetamide?
The InChIKey is GLLMNFPOBJLORP-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11(20)18-14-6-7-15(16(9-14)21-2)19-13-5-3-4-12(8-13)10-17/h6-7,9,12-13,19H,3-5,8H2,1-2H3,(H,18,20)/t12-,13+/m0/s1.
What are the key properties of N-[4-[[(1R,3S)-3-cyanocyclohexyl]amino]-3-methoxyphenyl]acetamide?
N-[4-[[(1R,3S)-3-cyanocyclohexyl]amino]-3-methoxyphenyl]acetamide has a molecular weight of 287.36 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(1R,3S)-3-cyanocyclohexyl]amino]-3-methoxyphenyl]acetamide is sourced from PubChem (CID 100684548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).