N-[2-[[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamoylamino]ethyl]benzamide

C20H21N7O2 — CID 55698362

IUPACN-[2-[[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamoylamino]ethyl]benzamide
SMILESO=C(NCCNC(=O)c1ccccc1)Nc1ccc(-c2nnnn2C2CC2)cc1
InChIInChI=1S/C20H21N7O2/c28-19(15-4-2-1-3-5-15)21-12-13-22-20(29)23-16-8-6-14(7-9-16)18-24-25-26-27(18)17-10-11-17/h1-9,17H,10-13H2,(H,21,28)(H2,22,23,29)
InChIKeyBJFMWGACIOYTOD-UHFFFAOYSA-N
MW391.44 g/mol
LogP2.23
Rot. Bonds7

About N-[2-[[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamoylamino]ethyl]benzamide

N-[2-[[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamoylamino]ethyl]benzamide (PubChem CID 55698362) has the molecular formula C20H21N7O2 and a molecular weight of 391.44 g/mol. Its IUPAC name is N-[2-[[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamoylamino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamoylamino]ethyl]benzamide
PubChem CID55698362
Molecular FormulaC20H21N7O2
Molecular Weight391.44 g/mol
Exact Mass391.18
IUPAC NameN-[2-[[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamoylamino]ethyl]benzamide
SMILESO=C(NCCNC(=O)c1ccccc1)Nc1ccc(-c2nnnn2C2CC2)cc1
InChIInChI=1S/C20H21N7O2/c28-19(15-4-2-1-3-5-15)21-12-13-22-20(29)23-16-8-6-14(7-9-16)18-24-25-26-27(18)17-10-11-17/h1-9,17H,10-13H2,(H,21,28)(H2,22,23,29)
InChIKeyBJFMWGACIOYTOD-UHFFFAOYSA-N
XLogP2.23
TPSA113.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-iodobenzamide
CID 46548478
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]pyridine-2-carboxamide
CID 30701945
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]propanamide
CID 60724572
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-propan-2-yloxybenzamide
CID 86893928
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 55536860
N-cyclopropyl-4-[(E)-3-[4-(1-cyclopropyltetrazol-5-yl)anilino]-3-oxoprop-1-enyl]benzamide
CID 46423867
(E)-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]but-2-enamide
CID 112725246
1-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]urea
CID 55702071
1-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]urea
CID 51124917
1-benzyl-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-5-ethylpyrazole-4-carboxamide
CID 78873492
1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[4-(1-cyclopropyltetrazol-5-yl)phenyl]urea
CID 166231140
N-[3-[[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55871891

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamoylamino]ethyl]benzamide?
The IUPAC name of N-[2-[[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamoylamino]ethyl]benzamide (CID 55698362) is N-[2-[[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamoylamino]ethyl]benzamide.
What is the SMILES notation for N-[2-[[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamoylamino]ethyl]benzamide?
The canonical SMILES for N-[2-[[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamoylamino]ethyl]benzamide is O=C(NCCNC(=O)c1ccccc1)Nc1ccc(-c2nnnn2C2CC2)cc1.
What is the InChIKey of N-[2-[[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamoylamino]ethyl]benzamide?
The InChIKey is BJFMWGACIOYTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O2/c28-19(15-4-2-1-3-5-15)21-12-13-22-20(29)23-16-8-6-14(7-9-16)18-24-25-26-27(18)17-10-11-17/h1-9,17H,10-13H2,(H,21,28)(H2,22,23,29).
What are the key properties of N-[2-[[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamoylamino]ethyl]benzamide?
N-[2-[[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamoylamino]ethyl]benzamide has a molecular weight of 391.44 g/mol, XLogP of 2.23, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamoylamino]ethyl]benzamide is sourced from PubChem (CID 55698362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).