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

C18H21N3O4 — CID 47034214

IUPACN-[1-[4-(carbamoylamino)phenyl]ethyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NC(C)c2ccc(NC(N)=O)cc2)c1OC
InChIInChI=1S/C18H21N3O4/c1-11(12-7-9-13(10-8-12)21-18(19)23)20-17(22)14-5-4-6-15(24-2)16(14)25-3/h4-11H,1-3H3,(H,20,22)(H3,19,21,23)
InChIKeyORIGTNNUULTMQJ-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.69
Rot. Bonds6

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

N-[1-[4-(carbamoylamino)phenyl]ethyl]-2,3-dimethoxybenzamide (PubChem CID 47034214) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-[1-[4-(carbamoylamino)phenyl]ethyl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[1-[4-(carbamoylamino)phenyl]ethyl]-2,3-dimethoxybenzamide
PubChem CID47034214
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-[1-[4-(carbamoylamino)phenyl]ethyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NC(C)c2ccc(NC(N)=O)cc2)c1OC
InChIInChI=1S/C18H21N3O4/c1-11(12-7-9-13(10-8-12)21-18(19)23)20-17(22)14-5-4-6-15(24-2)16(14)25-3/h4-11H,1-3H3,(H,20,22)(H3,19,21,23)
InChIKeyORIGTNNUULTMQJ-UHFFFAOYSA-N
XLogP2.69
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,3-dimethoxybenzamide
CID 55584533
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethoxybenzamide
CID 95601254
2,3-dimethoxy-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 46432760
2,3-dimethoxy-N-[1-(4-pyrrol-1-ylphenyl)ethyl]benzamide
CID 56725038
2-(difluoromethoxy)-3-methoxy-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]benzamide
CID 55962117
2,3-dimethoxy-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide
CID 842039
N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-2-fluorobenzamide
CID 94062816
N-(4-acetamidophenyl)-2,3-dimethoxybenzamide
CID 912418
N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methoxy-5-phenylthiophene-2-carboxamide
CID 55961939
2,3-dimethoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 45352345
2-(difluoromethoxy)-3-methoxy-N-(1-phenylethyl)benzamide
CID 51147641
N-[1-(3-acetamidophenyl)ethyl]-2,3,4-trimethoxybenzamide
CID 46598814

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(carbamoylamino)phenyl]ethyl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[1-[4-(carbamoylamino)phenyl]ethyl]-2,3-dimethoxybenzamide (CID 47034214) is N-[1-[4-(carbamoylamino)phenyl]ethyl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[1-[4-(carbamoylamino)phenyl]ethyl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[1-[4-(carbamoylamino)phenyl]ethyl]-2,3-dimethoxybenzamide is COc1cccc(C(=O)NC(C)c2ccc(NC(N)=O)cc2)c1OC.
What is the InChIKey of N-[1-[4-(carbamoylamino)phenyl]ethyl]-2,3-dimethoxybenzamide?
The InChIKey is ORIGTNNUULTMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-11(12-7-9-13(10-8-12)21-18(19)23)20-17(22)14-5-4-6-15(24-2)16(14)25-3/h4-11H,1-3H3,(H,20,22)(H3,19,21,23).
What are the key properties of N-[1-[4-(carbamoylamino)phenyl]ethyl]-2,3-dimethoxybenzamide?
N-[1-[4-(carbamoylamino)phenyl]ethyl]-2,3-dimethoxybenzamide has a molecular weight of 343.38 g/mol, XLogP of 2.69, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(carbamoylamino)phenyl]ethyl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 47034214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).