N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,3-dimethoxybenzamide

C21H24N2O4 — CID 55584533

IUPACN-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NC(C)c2ccc(NC(=O)C3CC3)cc2)c1OC
InChIInChI=1S/C21H24N2O4/c1-13(14-9-11-16(12-10-14)23-20(24)15-7-8-15)22-21(25)17-5-4-6-18(26-2)19(17)27-3/h4-6,9-13,15H,7-8H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyRJCLKZYJVBSJSI-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.54
Rot. Bonds7

About N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,3-dimethoxybenzamide

N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,3-dimethoxybenzamide (PubChem CID 55584533) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,3-dimethoxybenzamide
PubChem CID55584533
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NC(C)c2ccc(NC(=O)C3CC3)cc2)c1OC
InChIInChI=1S/C21H24N2O4/c1-13(14-9-11-16(12-10-14)23-20(24)15-7-8-15)22-21(25)17-5-4-6-18(26-2)19(17)27-3/h4-6,9-13,15H,7-8H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyRJCLKZYJVBSJSI-UHFFFAOYSA-N
XLogP3.54
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[4-(carbamoylamino)phenyl]ethyl]-2,3-dimethoxybenzamide
CID 47034214
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethoxybenzamide
CID 95601254
3-chloro-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4,5-dimethoxybenzamide
CID 43058061
2,3-dimethoxy-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 46432760
4-amino-5-chloro-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-methoxybenzamide;hydrochloride
CID 119722083
2,3-dimethoxy-N-[1-(4-pyrrol-1-ylphenyl)ethyl]benzamide
CID 56725038
3-bromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-methoxybenzamide
CID 46475324
2-(difluoromethoxy)-3-methoxy-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]benzamide
CID 55962117
N-[4-[1-[3-(2-methoxyphenoxy)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 134021124
2,3-dimethoxy-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide
CID 842039
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 46599128
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 46475540

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,3-dimethoxybenzamide (CID 55584533) is N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,3-dimethoxybenzamide is COc1cccc(C(=O)NC(C)c2ccc(NC(=O)C3CC3)cc2)c1OC.
What is the InChIKey of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,3-dimethoxybenzamide?
The InChIKey is RJCLKZYJVBSJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-13(14-9-11-16(12-10-14)23-20(24)15-7-8-15)22-21(25)17-5-4-6-18(26-2)19(17)27-3/h4-6,9-13,15H,7-8H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,3-dimethoxybenzamide?
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,3-dimethoxybenzamide has a molecular weight of 368.43 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 55584533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).