N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-[(1R,3S)-3-methylcyclohexyl]acetamide

C18H26N2O4 — CID 95595690

IUPACN-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-[(1R,3S)-3-methylcyclohexyl]acetamide
SMILESCOc1ccc(NC(=O)C[C@@H]2CCC[C@H](C)C2)cc1OCC(N)=O
InChIInChI=1S/C18H26N2O4/c1-12-4-3-5-13(8-12)9-18(22)20-14-6-7-15(23-2)16(10-14)24-11-17(19)21/h6-7,10,12-13H,3-5,8-9,11H2,1-2H3,(H2,19,21)(H,20,22)/t12-,13+/m0/s1
InChIKeyWBDMFWDTZTWVRH-QWHCGFSZSA-N
MW334.42 g/mol
LogP2.71
Rot. Bonds7

About N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-[(1R,3S)-3-methylcyclohexyl]acetamide

N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-[(1R,3S)-3-methylcyclohexyl]acetamide (PubChem CID 95595690) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-[(1R,3S)-3-methylcyclohexyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-[(1R,3S)-3-methylcyclohexyl]acetamide
PubChem CID95595690
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC NameN-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-[(1R,3S)-3-methylcyclohexyl]acetamide
SMILESCOc1ccc(NC(=O)C[C@@H]2CCC[C@H](C)C2)cc1OCC(N)=O
InChIInChI=1S/C18H26N2O4/c1-12-4-3-5-13(8-12)9-18(22)20-14-6-7-15(23-2)16(10-14)24-11-17(19)21/h6-7,10,12-13H,3-5,8-9,11H2,1-2H3,(H2,19,21)(H,20,22)/t12-,13+/m0/s1
InChIKeyWBDMFWDTZTWVRH-QWHCGFSZSA-N
XLogP2.71
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119717528
2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide
CID 2682853
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-thiomorpholin-3-ylacetamide
CID 119936558
2-[3-[[2-(3-methylcyclohexyl)acetyl]amino]phenoxy]acetic acid
CID 119224899
2-(azetidin-3-yl)-N-(3-ethoxy-4-methoxyphenyl)acetamide
CID 64617201
1-amino-N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]cyclopentane-1-carboxamide
CID 119286080
N-(3,4-dimethoxyphenyl)-2-(1,1-dioxothian-4-yl)acetamide
CID 84577292
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119717532
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2,4,5-trimethoxybenzamide
CID 55744161
trans-[2-(3,4-dimethoxyanilino)-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 8020711
2-[acetyl(cyclopentyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 113159345
N-(3,4-dimethoxyphenyl)-2-(2,6-dimethylpiperidin-1-yl)acetamide
CID 78843301

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-[(1R,3S)-3-methylcyclohexyl]acetamide?
The IUPAC name of N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-[(1R,3S)-3-methylcyclohexyl]acetamide (CID 95595690) is N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-[(1R,3S)-3-methylcyclohexyl]acetamide.
What is the SMILES notation for N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-[(1R,3S)-3-methylcyclohexyl]acetamide?
The canonical SMILES for N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-[(1R,3S)-3-methylcyclohexyl]acetamide is COc1ccc(NC(=O)C[C@@H]2CCC[C@H](C)C2)cc1OCC(N)=O.
What is the InChIKey of N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-[(1R,3S)-3-methylcyclohexyl]acetamide?
The InChIKey is WBDMFWDTZTWVRH-QWHCGFSZSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-12-4-3-5-13(8-12)9-18(22)20-14-6-7-15(23-2)16(10-14)24-11-17(19)21/h6-7,10,12-13H,3-5,8-9,11H2,1-2H3,(H2,19,21)(H,20,22)/t12-,13+/m0/s1.
What are the key properties of N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-[(1R,3S)-3-methylcyclohexyl]acetamide?
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-[(1R,3S)-3-methylcyclohexyl]acetamide has a molecular weight of 334.42 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-[(1R,3S)-3-methylcyclohexyl]acetamide is sourced from PubChem (CID 95595690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).