1-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-[2-(tetrazol-1-yl)phenyl]urea

C19H23N7O2 — CID 52511803

IUPAC1-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-[2-(tetrazol-1-yl)phenyl]urea
SMILESCOc1ccccc1[C@H](CNC(=O)Nc1ccccc1-n1cnnn1)N(C)C
InChIInChI=1S/C19H23N7O2/c1-25(2)17(14-8-4-7-11-18(14)28-3)12-20-19(27)22-15-9-5-6-10-16(15)26-13-21-23-24-26/h4-11,13,17H,12H2,1-3H3,(H2,20,22,27)/t17-/m0/s1
InChIKeyINYUMWSTVHRFBF-KRWDZBQOSA-N
MW381.44 g/mol
LogP2.10
Rot. Bonds7

About 1-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-[2-(tetrazol-1-yl)phenyl]urea

1-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-[2-(tetrazol-1-yl)phenyl]urea (PubChem CID 52511803) has the molecular formula C19H23N7O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 1-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-[2-(tetrazol-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-[2-(tetrazol-1-yl)phenyl]urea
PubChem CID52511803
Molecular FormulaC19H23N7O2
Molecular Weight381.44 g/mol
Exact Mass381.19
IUPAC Name1-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-[2-(tetrazol-1-yl)phenyl]urea
SMILESCOc1ccccc1[C@H](CNC(=O)Nc1ccccc1-n1cnnn1)N(C)C
InChIInChI=1S/C19H23N7O2/c1-25(2)17(14-8-4-7-11-18(14)28-3)12-20-19(27)22-15-9-5-6-10-16(15)26-13-21-23-24-26/h4-11,13,17H,12H2,1-3H3,(H2,20,22,27)/t17-/m0/s1
InChIKeyINYUMWSTVHRFBF-KRWDZBQOSA-N
XLogP2.10
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(2-fluorophenyl)urea
CID 41036483
1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-naphthalen-1-ylurea
CID 17470191
3-chloro-2-methyl-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 55110809
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 31308885
(2R)-2-amino-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 54995832
2-chloro-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 43698693
1-benzyl-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]urea
CID 24664488
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-methoxyphenyl)urea
CID 51168501
(2S)-2-amino-4-methyl-N-[2-(tetrazol-1-yl)phenyl]pentanamide
CID 61180779
2-amino-4-methyl-N-[2-(tetrazol-1-yl)phenyl]pentanamide
CID 43706192
1-(3-chlorophenyl)-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]urea
CID 24528854
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-phenyltriazole-4-carboxamide
CID 43066149

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-[2-(tetrazol-1-yl)phenyl]urea?
The IUPAC name of 1-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-[2-(tetrazol-1-yl)phenyl]urea (CID 52511803) is 1-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-[2-(tetrazol-1-yl)phenyl]urea.
What is the SMILES notation for 1-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-[2-(tetrazol-1-yl)phenyl]urea?
The canonical SMILES for 1-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-[2-(tetrazol-1-yl)phenyl]urea is COc1ccccc1[C@H](CNC(=O)Nc1ccccc1-n1cnnn1)N(C)C.
What is the InChIKey of 1-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-[2-(tetrazol-1-yl)phenyl]urea?
The InChIKey is INYUMWSTVHRFBF-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23N7O2/c1-25(2)17(14-8-4-7-11-18(14)28-3)12-20-19(27)22-15-9-5-6-10-16(15)26-13-21-23-24-26/h4-11,13,17H,12H2,1-3H3,(H2,20,22,27)/t17-/m0/s1.
What are the key properties of 1-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-[2-(tetrazol-1-yl)phenyl]urea?
1-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-[2-(tetrazol-1-yl)phenyl]urea has a molecular weight of 381.44 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-[2-(tetrazol-1-yl)phenyl]urea is sourced from PubChem (CID 52511803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).