N-[4-(cyclopropylcarbamoylamino)phenyl]-2-[(1R,2S)-2-methylcyclohexyl]oxyacetamide

C19H27N3O3 — CID 96532780

IUPACN-[4-(cyclopropylcarbamoylamino)phenyl]-2-[(1R,2S)-2-methylcyclohexyl]oxyacetamide
SMILESC[C@H]1CCCC[C@H]1OCC(=O)Nc1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C19H27N3O3/c1-13-4-2-3-5-17(13)25-12-18(23)20-14-6-8-15(9-7-14)21-19(24)22-16-10-11-16/h6-9,13,16-17H,2-5,10-12H2,1H3,(H,20,23)(H2,21,22,24)/t13-,17+/m0/s1
InChIKeyOFHHJNFFMGFAGO-SUMWQHHRSA-N
MW345.44 g/mol
LogP3.50
Rot. Bonds6

About N-[4-(cyclopropylcarbamoylamino)phenyl]-2-[(1R,2S)-2-methylcyclohexyl]oxyacetamide

N-[4-(cyclopropylcarbamoylamino)phenyl]-2-[(1R,2S)-2-methylcyclohexyl]oxyacetamide (PubChem CID 96532780) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[4-(cyclopropylcarbamoylamino)phenyl]-2-[(1R,2S)-2-methylcyclohexyl]oxyacetamide.

Molecular Properties

Compound NameN-[4-(cyclopropylcarbamoylamino)phenyl]-2-[(1R,2S)-2-methylcyclohexyl]oxyacetamide
PubChem CID96532780
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-[4-(cyclopropylcarbamoylamino)phenyl]-2-[(1R,2S)-2-methylcyclohexyl]oxyacetamide
SMILESC[C@H]1CCCC[C@H]1OCC(=O)Nc1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C19H27N3O3/c1-13-4-2-3-5-17(13)25-12-18(23)20-14-6-8-15(9-7-14)21-19(24)22-16-10-11-16/h6-9,13,16-17H,2-5,10-12H2,1H3,(H,20,23)(H2,21,22,24)/t13-,17+/m0/s1
InChIKeyOFHHJNFFMGFAGO-SUMWQHHRSA-N
XLogP3.50
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[3-[[2-[(1R,2R)-2-methylcyclohexyl]oxyacetyl]amino]phenyl]acetamide
CID 96532685
2-methoxy-N-[3-[[2-[(1S,2R)-2-methylcyclohexyl]oxyacetyl]amino]phenyl]acetamide
CID 96532683
2-methoxy-N-[3-[[2-[(1S,2S)-2-methylcyclohexyl]oxyacetyl]amino]phenyl]acetamide
CID 96532684
N-(4-hydroxy-3-nitrophenyl)-2-[(1R,2S)-2-methylcyclohexyl]oxyacetamide
CID 99718479
N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2-[(1R,2S)-2-methylcyclohexyl]oxyacetamide
CID 97092276
1-cyclopentyl-3-(4-propoxyphenyl)urea
CID 110774502
2-[5-[[2-(2-methylcyclohexyl)oxyacetyl]amino]indol-1-yl]acetic acid
CID 119235612
N-methyl-2-[2-[[2-(2-methylcyclohexyl)oxyacetyl]amino]phenyl]acetamide
CID 56789258
1-[2-(2-methylcyclohexyl)oxyethyl]-3-phenylurea
CID 47034652
3-[[2-(2-methylcyclohexyl)oxyacetyl]amino]-5-methylsulfonylbenzoic acid
CID 119257901
2-[4-(cyclopentylcarbamoylamino)phenoxy]acetic acid
CID 63772718
1-cyclopentyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]urea
CID 110774513

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylcarbamoylamino)phenyl]-2-[(1R,2S)-2-methylcyclohexyl]oxyacetamide?
The IUPAC name of N-[4-(cyclopropylcarbamoylamino)phenyl]-2-[(1R,2S)-2-methylcyclohexyl]oxyacetamide (CID 96532780) is N-[4-(cyclopropylcarbamoylamino)phenyl]-2-[(1R,2S)-2-methylcyclohexyl]oxyacetamide.
What is the SMILES notation for N-[4-(cyclopropylcarbamoylamino)phenyl]-2-[(1R,2S)-2-methylcyclohexyl]oxyacetamide?
The canonical SMILES for N-[4-(cyclopropylcarbamoylamino)phenyl]-2-[(1R,2S)-2-methylcyclohexyl]oxyacetamide is C[C@H]1CCCC[C@H]1OCC(=O)Nc1ccc(NC(=O)NC2CC2)cc1.
What is the InChIKey of N-[4-(cyclopropylcarbamoylamino)phenyl]-2-[(1R,2S)-2-methylcyclohexyl]oxyacetamide?
The InChIKey is OFHHJNFFMGFAGO-SUMWQHHRSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-13-4-2-3-5-17(13)25-12-18(23)20-14-6-8-15(9-7-14)21-19(24)22-16-10-11-16/h6-9,13,16-17H,2-5,10-12H2,1H3,(H,20,23)(H2,21,22,24)/t13-,17+/m0/s1.
What are the key properties of N-[4-(cyclopropylcarbamoylamino)phenyl]-2-[(1R,2S)-2-methylcyclohexyl]oxyacetamide?
N-[4-(cyclopropylcarbamoylamino)phenyl]-2-[(1R,2S)-2-methylcyclohexyl]oxyacetamide has a molecular weight of 345.44 g/mol, XLogP of 3.50, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylcarbamoylamino)phenyl]-2-[(1R,2S)-2-methylcyclohexyl]oxyacetamide is sourced from PubChem (CID 96532780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).