N-cycloheptyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide

C19H29N3O3 — CID 26624583

IUPACN-cycloheptyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCOc1cccc(NC(=O)CN(C)CC(=O)NC2CCCCCC2)c1
InChIInChI=1S/C19H29N3O3/c1-22(13-18(23)20-15-8-5-3-4-6-9-15)14-19(24)21-16-10-7-11-17(12-16)25-2/h7,10-12,15H,3-6,8-9,13-14H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyHQZRNTJCSDDCIQ-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.40
Rot. Bonds7

About N-cycloheptyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide

N-cycloheptyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide (PubChem CID 26624583) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-cycloheptyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
PubChem CID26624583
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC NameN-cycloheptyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCOc1cccc(NC(=O)CN(C)CC(=O)NC2CCCCCC2)c1
InChIInChI=1S/C19H29N3O3/c1-22(13-18(23)20-15-8-5-3-4-6-9-15)14-19(24)21-16-10-7-11-17(12-16)25-2/h7,10-12,15H,3-6,8-9,13-14H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyHQZRNTJCSDDCIQ-UHFFFAOYSA-N
XLogP2.40
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 34434295
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 11929471
2-[[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8554767
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 109397891
N-(3-methoxyphenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
CID 106635727
N-(3-methoxyphenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 78722797
N-cyclopentyl-N'-(3-methoxyphenyl)oxamide
CID 7541556
2-[[2-(3,4-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9198587
2-[[2-(3-bromo-4-methylanilino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9198492
N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770
2-[cyclohexyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide
CID 954156
N-(3-methoxyphenyl)-2-[methyl-[2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide
CID 8556099

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-cycloheptyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide (CID 26624583) is N-cycloheptyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-cycloheptyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide is COc1cccc(NC(=O)CN(C)CC(=O)NC2CCCCCC2)c1.
What is the InChIKey of N-cycloheptyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide?
The InChIKey is HQZRNTJCSDDCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-22(13-18(23)20-15-8-5-3-4-6-9-15)14-19(24)21-16-10-7-11-17(12-16)25-2/h7,10-12,15H,3-6,8-9,13-14H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-cycloheptyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide?
N-cycloheptyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide has a molecular weight of 347.46 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 26624583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).