2-[methyl-[3-[methyl-[[4-(2H-tetrazol-5-yl)phenyl]methyl]amino]propyl]amino]-N-(4-phenoxyphenyl)acetamide

C27H31N7O2 — CID 44567664

IUPAC2-[methyl-[3-[methyl-[[4-(2H-tetrazol-5-yl)phenyl]methyl]amino]propyl]amino]-N-(4-phenoxyphenyl)acetamide
SMILESCN(CCCN(C)Cc1ccc(-c2nn[nH]n2)cc1)CC(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C27H31N7O2/c1-33(19-21-9-11-22(12-10-21)27-29-31-32-30-27)17-6-18-34(2)20-26(35)28-23-13-15-25(16-14-23)36-24-7-4-3-5-8-24/h3-5,7-16H,6,17-20H2,1-2H3,(H,28,35)(H,29,30,31,32)
InChIKeyHANMVYCPBCNRMX-UHFFFAOYSA-N
MW485.59 g/mol
LogP4.05
Rot. Bonds12

About 2-[methyl-[3-[methyl-[[4-(2H-tetrazol-5-yl)phenyl]methyl]amino]propyl]amino]-N-(4-phenoxyphenyl)acetamide

2-[methyl-[3-[methyl-[[4-(2H-tetrazol-5-yl)phenyl]methyl]amino]propyl]amino]-N-(4-phenoxyphenyl)acetamide (PubChem CID 44567664) has the molecular formula C27H31N7O2 and a molecular weight of 485.59 g/mol. Its IUPAC name is 2-[methyl-[3-[methyl-[[4-(2H-tetrazol-5-yl)phenyl]methyl]amino]propyl]amino]-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[3-[methyl-[[4-(2H-tetrazol-5-yl)phenyl]methyl]amino]propyl]amino]-N-(4-phenoxyphenyl)acetamide
PubChem CID44567664
Molecular FormulaC27H31N7O2
Molecular Weight485.59 g/mol
Exact Mass485.25
IUPAC Name2-[methyl-[3-[methyl-[[4-(2H-tetrazol-5-yl)phenyl]methyl]amino]propyl]amino]-N-(4-phenoxyphenyl)acetamide
SMILESCN(CCCN(C)Cc1ccc(-c2nn[nH]n2)cc1)CC(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C27H31N7O2/c1-33(19-21-9-11-22(12-10-21)27-29-31-32-30-27)17-6-18-34(2)20-26(35)28-23-13-15-25(16-14-23)36-24-7-4-3-5-8-24/h3-5,7-16H,6,17-20H2,1-2H3,(H,28,35)(H,29,30,31,32)
InChIKeyHANMVYCPBCNRMX-UHFFFAOYSA-N
XLogP4.05
TPSA99.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[methyl-[3-[methyl-[[4-(2H-tetrazol-5-yl)phenyl]methyl]amino]propyl]amino]-N-(4-phenoxyphenyl)acetamide with MolForge

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Related Compounds

2-[5-(2-fluorophenyl)-2H-tetrazol-2-yl]-N-(4-methoxyphenyl)acetamide
CID 579006
N-[(3-methoxyphenyl)methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 49872682
3-azanyl-3-methyl-~{N}-[(3~{R})-4-oxidanylidene-5-[[4-[2-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydro-1,5-benzoxazepin-3-yl]butanamide
CID 44459067
N-(2-{2-[(4-Ethoxy-phenylcarbamoyl)-methyl]-2H-tetrazol-5-yl}-phenyl)-butyramide
CID 645244
N-(2-{2-[(4-Ethoxy-phenylcarbamoyl)-methyl]-2H-tetrazol-5-yl}-phenyl)-propionamide
CID 646108
N-(2-{2-[(4-Methoxy-phenylcarbamoyl)-methyl]-2H-tetrazol-5-yl}-phenyl)-butyramide
CID 646949
2-[5-[4-(Dimethylamino)phenyl]tetrazol-2-yl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 1373940
2-[5-(2-Aminophenyl)-2-tetrazolyl]-1-[4-(4-methoxyphenyl)-1-piperazinyl]ethanone
CID 1428855
(2S)-4-methyl-2-(3-phenylanilino)-N-[(2S)-1-[4-(2H-tetrazol-5-ylmethoxy)anilino]butan-2-yl]pentanamide
CID 44408774
N-methyl-2-[5-[2-[4-(trifluoromethoxy)anilino]phenyl]tetrazol-2-yl]acetamide
CID 135372855
N-(4-Ethoxy-phenyl)-2-[5-(2-fluoro-phenyl)-tetrazol-2-yl]-acetamide
CID 647795
N-[2-[2-[2-(4-ethoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclopropanecarboxamide
CID 650575

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[3-[methyl-[[4-(2H-tetrazol-5-yl)phenyl]methyl]amino]propyl]amino]-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-[methyl-[3-[methyl-[[4-(2H-tetrazol-5-yl)phenyl]methyl]amino]propyl]amino]-N-(4-phenoxyphenyl)acetamide (CID 44567664) is 2-[methyl-[3-[methyl-[[4-(2H-tetrazol-5-yl)phenyl]methyl]amino]propyl]amino]-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[methyl-[3-[methyl-[[4-(2H-tetrazol-5-yl)phenyl]methyl]amino]propyl]amino]-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[methyl-[3-[methyl-[[4-(2H-tetrazol-5-yl)phenyl]methyl]amino]propyl]amino]-N-(4-phenoxyphenyl)acetamide is CN(CCCN(C)Cc1ccc(-c2nn[nH]n2)cc1)CC(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-[methyl-[3-[methyl-[[4-(2H-tetrazol-5-yl)phenyl]methyl]amino]propyl]amino]-N-(4-phenoxyphenyl)acetamide?
The InChIKey is HANMVYCPBCNRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O2/c1-33(19-21-9-11-22(12-10-21)27-29-31-32-30-27)17-6-18-34(2)20-26(35)28-23-13-15-25(16-14-23)36-24-7-4-3-5-8-24/h3-5,7-16H,6,17-20H2,1-2H3,(H,28,35)(H,29,30,31,32).
What are the key properties of 2-[methyl-[3-[methyl-[[4-(2H-tetrazol-5-yl)phenyl]methyl]amino]propyl]amino]-N-(4-phenoxyphenyl)acetamide?
2-[methyl-[3-[methyl-[[4-(2H-tetrazol-5-yl)phenyl]methyl]amino]propyl]amino]-N-(4-phenoxyphenyl)acetamide has a molecular weight of 485.59 g/mol, XLogP of 4.05, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[3-[methyl-[[4-(2H-tetrazol-5-yl)phenyl]methyl]amino]propyl]amino]-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 44567664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).