2-[[2-(5-aminotetrazol-1-yl)acetyl]-methylamino]-N-(4-methoxyphenyl)-2-methylbutanamide

C16H23N7O3 — CID 3558870

IUPAC2-[[2-(5-aminotetrazol-1-yl)acetyl]-methylamino]-N-(4-methoxyphenyl)-2-methylbutanamide
SMILESCCC(C)(C(=O)Nc1ccc(OC)cc1)N(C)C(=O)Cn1nnnc1N
InChIInChI=1S/C16H23N7O3/c1-5-16(2,14(25)18-11-6-8-12(26-4)9-7-11)22(3)13(24)10-23-15(17)19-20-21-23/h6-9H,5,10H2,1-4H3,(H,18,25)(H2,17,19,21)
InChIKeyXTRACISFIYRKBX-UHFFFAOYSA-N
MW361.41 g/mol
LogP0.53
Rot. Bonds7

About 2-[[2-(5-aminotetrazol-1-yl)acetyl]-methylamino]-N-(4-methoxyphenyl)-2-methylbutanamide

2-[[2-(5-aminotetrazol-1-yl)acetyl]-methylamino]-N-(4-methoxyphenyl)-2-methylbutanamide (PubChem CID 3558870) has the molecular formula C16H23N7O3 and a molecular weight of 361.41 g/mol. Its IUPAC name is 2-[[2-(5-aminotetrazol-1-yl)acetyl]-methylamino]-N-(4-methoxyphenyl)-2-methylbutanamide.

Molecular Properties

Compound Name2-[[2-(5-aminotetrazol-1-yl)acetyl]-methylamino]-N-(4-methoxyphenyl)-2-methylbutanamide
PubChem CID3558870
Molecular FormulaC16H23N7O3
Molecular Weight361.41 g/mol
Exact Mass361.19
IUPAC Name2-[[2-(5-aminotetrazol-1-yl)acetyl]-methylamino]-N-(4-methoxyphenyl)-2-methylbutanamide
SMILESCCC(C)(C(=O)Nc1ccc(OC)cc1)N(C)C(=O)Cn1nnnc1N
InChIInChI=1S/C16H23N7O3/c1-5-16(2,14(25)18-11-6-8-12(26-4)9-7-11)22(3)13(24)10-23-15(17)19-20-21-23/h6-9H,5,10H2,1-4H3,(H,18,25)(H2,17,19,21)
InChIKeyXTRACISFIYRKBX-UHFFFAOYSA-N
XLogP0.53
TPSA128.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-amino-N-(4-methoxyphenyl)-2-methylpropanamide;hydrochloride
CID 56832266
2-(5-aminotetrazol-1-yl)-N-(4-fluorophenyl)acetamide
CID 829145
1-(N-[2-(5-aminotetrazol-1-yl)acetyl]-4-methoxyanilino)-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide
CID 3937256
N-[4-(dimethylamino)phenyl]-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969421
N-(4-methoxyphenyl)-2-methyl-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]butanamide
CID 43820761
5-amino-N-(4-ethoxyphenyl)-1-[2-(4-methoxyanilino)-2-oxoethyl]triazole-4-carboxamide
CID 20853622
N-(4-methoxyphenyl)-4-(5-methyltetrazol-1-yl)butanamide
CID 13103350
2-amino-N-(4-methoxyphenyl)-2-phenylpropanamide
CID 62487859
(2R)-2-ethoxy-N-(4-methoxyphenyl)-2-methylhexanamide
CID 100726485
2-[[2-(benzotriazol-1-yl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(4-methoxyphenyl)-2-methylpropanamide
CID 2722845
2-amino-3,3,3-trifluoro-N-(4-methoxyphenyl)-2-methylpropanamide
CID 79788488
2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-methylphenyl)methyl]amino]-N-(4-methoxyphenyl)-2-methylbutanamide
CID 43819463

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-aminotetrazol-1-yl)acetyl]-methylamino]-N-(4-methoxyphenyl)-2-methylbutanamide?
The IUPAC name of 2-[[2-(5-aminotetrazol-1-yl)acetyl]-methylamino]-N-(4-methoxyphenyl)-2-methylbutanamide (CID 3558870) is 2-[[2-(5-aminotetrazol-1-yl)acetyl]-methylamino]-N-(4-methoxyphenyl)-2-methylbutanamide.
What is the SMILES notation for 2-[[2-(5-aminotetrazol-1-yl)acetyl]-methylamino]-N-(4-methoxyphenyl)-2-methylbutanamide?
The canonical SMILES for 2-[[2-(5-aminotetrazol-1-yl)acetyl]-methylamino]-N-(4-methoxyphenyl)-2-methylbutanamide is CCC(C)(C(=O)Nc1ccc(OC)cc1)N(C)C(=O)Cn1nnnc1N.
What is the InChIKey of 2-[[2-(5-aminotetrazol-1-yl)acetyl]-methylamino]-N-(4-methoxyphenyl)-2-methylbutanamide?
The InChIKey is XTRACISFIYRKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O3/c1-5-16(2,14(25)18-11-6-8-12(26-4)9-7-11)22(3)13(24)10-23-15(17)19-20-21-23/h6-9H,5,10H2,1-4H3,(H,18,25)(H2,17,19,21).
What are the key properties of 2-[[2-(5-aminotetrazol-1-yl)acetyl]-methylamino]-N-(4-methoxyphenyl)-2-methylbutanamide?
2-[[2-(5-aminotetrazol-1-yl)acetyl]-methylamino]-N-(4-methoxyphenyl)-2-methylbutanamide has a molecular weight of 361.41 g/mol, XLogP of 0.53, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-aminotetrazol-1-yl)acetyl]-methylamino]-N-(4-methoxyphenyl)-2-methylbutanamide is sourced from PubChem (CID 3558870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).