N-[2-methoxy-4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]acetamide

C18H19N7O3 — CID 48782752

IUPACN-[2-methoxy-4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]acetamide
SMILESCOc1cc(NC(=O)Nc2cccc(-c3nnnn3C)c2)ccc1NC(C)=O
InChIInChI=1S/C18H19N7O3/c1-11(26)19-15-8-7-14(10-16(15)28-3)21-18(27)20-13-6-4-5-12(9-13)17-22-23-24-25(17)2/h4-10H,1-3H3,(H,19,26)(H2,20,21,27)
InChIKeyATIGAGBMKQQLSH-UHFFFAOYSA-N
MW381.40 g/mol
LogP2.49
Rot. Bonds5

About N-[2-methoxy-4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]acetamide

N-[2-methoxy-4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]acetamide (PubChem CID 48782752) has the molecular formula C18H19N7O3 and a molecular weight of 381.40 g/mol. Its IUPAC name is N-[2-methoxy-4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methoxy-4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]acetamide
PubChem CID48782752
Molecular FormulaC18H19N7O3
Molecular Weight381.40 g/mol
Exact Mass381.15
IUPAC NameN-[2-methoxy-4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]acetamide
SMILESCOc1cc(NC(=O)Nc2cccc(-c3nnnn3C)c2)ccc1NC(C)=O
InChIInChI=1S/C18H19N7O3/c1-11(26)19-15-8-7-14(10-16(15)28-3)21-18(27)20-13-6-4-5-12(9-13)17-22-23-24-25(17)2/h4-10H,1-3H3,(H,19,26)(H2,20,21,27)
InChIKeyATIGAGBMKQQLSH-UHFFFAOYSA-N
XLogP2.49
TPSA123.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]propanamide
CID 48783055
N-(3-chloro-4-methoxyphenyl)-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide
CID 32977030
N-[3-(1-methyltetrazol-5-yl)phenyl]but-2-enamide
CID 112723851
4-(difluoromethoxy)-3-methoxy-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide
CID 41357494
1-[4-(methylamino)butyl]-3-[3-(1-methyltetrazol-5-yl)phenyl]urea
CID 69111932
(2R)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
CID 54991442
3-amino-3-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]butanamide
CID 64684421
2-(4-acetamidophenyl)sulfanyl-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
CID 55832469
2-[(2-methylpropan-2-yl)oxy]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 115949897
3,4-dimethoxy-N-[3-(1-methyltetrazol-5-yl)phenyl]-5-prop-2-enylbenzamide
CID 41360681
N-[3-(1-methyltetrazol-5-yl)phenyl]-2H-triazole-4-carboxamide
CID 112733195
2-bromo-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide
CID 17422742

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]acetamide?
The IUPAC name of N-[2-methoxy-4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]acetamide (CID 48782752) is N-[2-methoxy-4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-[2-methoxy-4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]acetamide?
The canonical SMILES for N-[2-methoxy-4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]acetamide is COc1cc(NC(=O)Nc2cccc(-c3nnnn3C)c2)ccc1NC(C)=O.
What is the InChIKey of N-[2-methoxy-4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]acetamide?
The InChIKey is ATIGAGBMKQQLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O3/c1-11(26)19-15-8-7-14(10-16(15)28-3)21-18(27)20-13-6-4-5-12(9-13)17-22-23-24-25(17)2/h4-10H,1-3H3,(H,19,26)(H2,20,21,27).
What are the key properties of N-[2-methoxy-4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]acetamide?
N-[2-methoxy-4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]acetamide has a molecular weight of 381.40 g/mol, XLogP of 2.49, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]acetamide is sourced from PubChem (CID 48782752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).