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

C20H21N7O2 — CID 41263869

IUPAC(3R)-3-(carbamoylamino)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide
SMILESNC(=O)N[C@H](CC(=O)Nc1cccc(-c2nnnn2C2CC2)c1)c1ccccc1
InChIInChI=1S/C20H21N7O2/c21-20(29)23-17(13-5-2-1-3-6-13)12-18(28)22-15-8-4-7-14(11-15)19-24-25-26-27(19)16-9-10-16/h1-8,11,16-17H,9-10,12H2,(H,22,28)(H3,21,23,29)/t17-/m1/s1
InChIKeyOENDUMKFYUSDOI-QGZVFWFLSA-N
MW391.44 g/mol
LogP2.41
Rot. Bonds7

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

(3R)-3-(carbamoylamino)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide (PubChem CID 41263869) has the molecular formula C20H21N7O2 and a molecular weight of 391.44 g/mol. Its IUPAC name is (3R)-3-(carbamoylamino)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(3R)-3-(carbamoylamino)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide
PubChem CID41263869
Molecular FormulaC20H21N7O2
Molecular Weight391.44 g/mol
Exact Mass391.18
IUPAC Name(3R)-3-(carbamoylamino)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide
SMILESNC(=O)N[C@H](CC(=O)Nc1cccc(-c2nnnn2C2CC2)c1)c1ccccc1
InChIInChI=1S/C20H21N7O2/c21-20(29)23-17(13-5-2-1-3-6-13)12-18(28)22-15-8-4-7-14(11-15)19-24-25-26-27(19)16-9-10-16/h1-8,11,16-17H,9-10,12H2,(H,22,28)(H3,21,23,29)/t17-/m1/s1
InChIKeyOENDUMKFYUSDOI-QGZVFWFLSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide;hydrochloride
CID 119949263
3-[3-(1-cyclopropyltetrazol-5-yl)anilino]-3-oxopropanoic acid
CID 62232063
2-(carbamoylamino)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide
CID 134042577
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide;hydrochloride
CID 119276593
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide
CID 30047811
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-phenylsulfanylbutanamide
CID 24590710
4-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]butanamide
CID 63309384
N-carbamoyl-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide
CID 25332248
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-phenylpropanamide
CID 120587693
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(5-phenylfuran-2-yl)propanamide
CID 17455277
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-methylpropanamide
CID 61265856
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 41181805

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(carbamoylamino)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide?
The IUPAC name of (3R)-3-(carbamoylamino)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide (CID 41263869) is (3R)-3-(carbamoylamino)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide.
What is the SMILES notation for (3R)-3-(carbamoylamino)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide?
The canonical SMILES for (3R)-3-(carbamoylamino)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide is NC(=O)N[C@H](CC(=O)Nc1cccc(-c2nnnn2C2CC2)c1)c1ccccc1.
What is the InChIKey of (3R)-3-(carbamoylamino)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide?
The InChIKey is OENDUMKFYUSDOI-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H21N7O2/c21-20(29)23-17(13-5-2-1-3-6-13)12-18(28)22-15-8-4-7-14(11-15)19-24-25-26-27(19)16-9-10-16/h1-8,11,16-17H,9-10,12H2,(H,22,28)(H3,21,23,29)/t17-/m1/s1.
What are the key properties of (3R)-3-(carbamoylamino)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide?
(3R)-3-(carbamoylamino)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide has a molecular weight of 391.44 g/mol, XLogP of 2.41, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(carbamoylamino)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 41263869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).