N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2H-benzotriazole-5-carboxamide

C20H23N5O3 — CID 30530459

IUPACN-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2H-benzotriazole-5-carboxamide
SMILESCOc1ccc([C@H](CNC(=O)c2ccc3n[nH]nc3c2)N2CCOCC2)cc1
InChIInChI=1S/C20H23N5O3/c1-27-16-5-2-14(3-6-16)19(25-8-10-28-11-9-25)13-21-20(26)15-4-7-17-18(12-15)23-24-22-17/h2-7,12,19H,8-11,13H2,1H3,(H,21,26)(H,22,23,24)/t19-/m0/s1
InChIKeySWQBUUIVDNVISK-IBGZPJMESA-N
MW381.44 g/mol
LogP1.77
Rot. Bonds6

About N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2H-benzotriazole-5-carboxamide

N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2H-benzotriazole-5-carboxamide (PubChem CID 30530459) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2H-benzotriazole-5-carboxamide
PubChem CID30530459
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC NameN-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2H-benzotriazole-5-carboxamide
SMILESCOc1ccc([C@H](CNC(=O)c2ccc3n[nH]nc3c2)N2CCOCC2)cc1
InChIInChI=1S/C20H23N5O3/c1-27-16-5-2-14(3-6-16)19(25-8-10-28-11-9-25)13-21-20(26)15-4-7-17-18(12-15)23-24-22-17/h2-7,12,19H,8-11,13H2,1H3,(H,21,26)(H,22,23,24)/t19-/m0/s1
InChIKeySWQBUUIVDNVISK-IBGZPJMESA-N
XLogP1.77
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2H-benzotriazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 30834690
4-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460518
4-methoxy-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 17011129
3-methoxy-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide
CID 18161673
N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 30530200
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 7496625
N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 39969584
4-methoxy-N-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834563
N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2H-benzotriazole-5-carboxamide
CID 77091232
3-methoxy-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 17011132
3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460638
3-methoxy-N-[(2S)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 35576988

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2H-benzotriazole-5-carboxamide (CID 30530459) is N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2H-benzotriazole-5-carboxamide is COc1ccc([C@H](CNC(=O)c2ccc3n[nH]nc3c2)N2CCOCC2)cc1.
What is the InChIKey of N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2H-benzotriazole-5-carboxamide?
The InChIKey is SWQBUUIVDNVISK-IBGZPJMESA-N. The full InChI is InChI=1S/C20H23N5O3/c1-27-16-5-2-14(3-6-16)19(25-8-10-28-11-9-25)13-21-20(26)15-4-7-17-18(12-15)23-24-22-17/h2-7,12,19H,8-11,13H2,1H3,(H,21,26)(H,22,23,24)/t19-/m0/s1.
What are the key properties of N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2H-benzotriazole-5-carboxamide?
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2H-benzotriazole-5-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 30530459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).