2-(carbamoylamino)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide

C20H21N7O2 — CID 134042577

IUPAC2-(carbamoylamino)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide
SMILESNC(=O)NC(Cc1ccccc1)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1
InChIInChI=1S/C20H21N7O2/c21-20(29)23-17(11-13-5-2-1-3-6-13)19(28)22-15-8-4-7-14(12-15)18-24-25-26-27(18)16-9-10-16/h1-8,12,16-17H,9-11H2,(H,22,28)(H3,21,23,29)
InChIKeySDUIJNFEIIVSCU-UHFFFAOYSA-N
MW391.44 g/mol
LogP1.89
Rot. Bonds7

About 2-(carbamoylamino)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide

2-(carbamoylamino)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide (PubChem CID 134042577) has the molecular formula C20H21N7O2 and a molecular weight of 391.44 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide
PubChem CID134042577
Molecular FormulaC20H21N7O2
Molecular Weight391.44 g/mol
Exact Mass391.18
IUPAC Name2-(carbamoylamino)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide
SMILESNC(=O)NC(Cc1ccccc1)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1
InChIInChI=1S/C20H21N7O2/c21-20(29)23-17(11-13-5-2-1-3-6-13)19(28)22-15-8-4-7-14(12-15)18-24-25-26-27(18)16-9-10-16/h1-8,12,16-17H,9-11H2,(H,22,28)(H3,21,23,29)
InChIKeySDUIJNFEIIVSCU-UHFFFAOYSA-N
XLogP1.89
TPSA127.82 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 ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-3-(carbamoylamino)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide
CID 41263869
(2S)-2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide
CID 119699673
3-[3-(1-cyclopropyltetrazol-5-yl)anilino]-3-oxopropanoic acid
CID 62232063
3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide;hydrochloride
CID 119949263
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-phenylpropanamide
CID 120587693
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide
CID 30047811
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-methylpropanamide
CID 61265856
1-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]urea
CID 51945692
N-carbamoyl-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide
CID 25332248
3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]cyclohexane-1-carboxamide
CID 119699629
1-cycloheptyl-3-[3-(1-cyclopropyltetrazol-5-yl)phenyl]urea
CID 51115307
2-(carbamoylamino)-3-phenyl-N-(3-propan-2-ylphenyl)propanamide
CID 24636305

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide?
The IUPAC name of 2-(carbamoylamino)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide (CID 134042577) is 2-(carbamoylamino)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide?
The canonical SMILES for 2-(carbamoylamino)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide is NC(=O)NC(Cc1ccccc1)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1.
What is the InChIKey of 2-(carbamoylamino)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide?
The InChIKey is SDUIJNFEIIVSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O2/c21-20(29)23-17(11-13-5-2-1-3-6-13)19(28)22-15-8-4-7-14(12-15)18-24-25-26-27(18)16-9-10-16/h1-8,12,16-17H,9-11H2,(H,22,28)(H3,21,23,29).
What are the key properties of 2-(carbamoylamino)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide?
2-(carbamoylamino)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide has a molecular weight of 391.44 g/mol, XLogP of 1.89, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 134042577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).