N-[4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]propanamide

C18H19N7O2 — CID 48783055

IUPACN-[4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)Nc2cccc(-c3nnnn3C)c2)cc1
InChIInChI=1S/C18H19N7O2/c1-3-16(26)19-13-7-9-14(10-8-13)20-18(27)21-15-6-4-5-12(11-15)17-22-23-24-25(17)2/h4-11H,3H2,1-2H3,(H,19,26)(H2,20,21,27)
InChIKeyCZTAIUJNMAYFJZ-UHFFFAOYSA-N
MW365.40 g/mol
LogP2.87
Rot. Bonds5

About N-[4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]propanamide

N-[4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]propanamide (PubChem CID 48783055) has the molecular formula C18H19N7O2 and a molecular weight of 365.40 g/mol. Its IUPAC name is N-[4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]propanamide
PubChem CID48783055
Molecular FormulaC18H19N7O2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC NameN-[4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)Nc2cccc(-c3nnnn3C)c2)cc1
InChIInChI=1S/C18H19N7O2/c1-3-16(26)19-13-7-9-14(10-8-13)20-18(27)21-15-6-4-5-12(11-15)17-22-23-24-25(17)2/h4-11H,3H2,1-2H3,(H,19,26)(H2,20,21,27)
InChIKeyCZTAIUJNMAYFJZ-UHFFFAOYSA-N
XLogP2.87
TPSA113.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-3-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]butanamide
CID 64684421
2-[(2-methylpropan-2-yl)oxy]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 115949897
N-[3-(1-methyltetrazol-5-yl)phenyl]-2-thiophen-3-ylacetamide
CID 30414133
1-[4-(methylamino)butyl]-3-[3-(1-methyltetrazol-5-yl)phenyl]urea
CID 69111932
N-[2-methoxy-4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]acetamide
CID 48782752
N,N-diethyl-4-[[2-[3-(1-methyltetrazol-5-yl)anilino]acetyl]amino]benzamide
CID 55544975
2-(4-methylphenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 26122709
2-[3-(1-methyltetrazol-5-yl)anilino]-N-(4-phenoxyphenyl)acetamide
CID 55544703
N-[3-(1-methyltetrazol-5-yl)phenyl]but-2-enamide
CID 112723851
N-[3-(1-methyltetrazol-5-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 26124808
4-(4-fluorophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-4-oxobutanamide
CID 26124801
(2R)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
CID 54991442

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]propanamide?
The IUPAC name of N-[4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]propanamide (CID 48783055) is N-[4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]propanamide.
What is the SMILES notation for N-[4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]propanamide?
The canonical SMILES for N-[4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]propanamide is CCC(=O)Nc1ccc(NC(=O)Nc2cccc(-c3nnnn3C)c2)cc1.
What is the InChIKey of N-[4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]propanamide?
The InChIKey is CZTAIUJNMAYFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O2/c1-3-16(26)19-13-7-9-14(10-8-13)20-18(27)21-15-6-4-5-12(11-15)17-22-23-24-25(17)2/h4-11H,3H2,1-2H3,(H,19,26)(H2,20,21,27).
What are the key properties of N-[4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]propanamide?
N-[4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]propanamide has a molecular weight of 365.40 g/mol, XLogP of 2.87, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]propanamide is sourced from PubChem (CID 48783055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).