4-amino-3-methoxy-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide

C13H18N6O2 — CID 120591918

IUPAC4-amino-3-methoxy-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide
SMILESCOC(CN)CC(=O)NCc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C13H18N6O2/c1-21-11(7-14)6-12(20)15-8-9-2-4-10(5-3-9)13-16-18-19-17-13/h2-5,11H,6-8,14H2,1H3,(H,15,20)(H,16,17,18,19)
InChIKeyBCGZGWVWKPVJQP-UHFFFAOYSA-N
MW290.33 g/mol
LogP-0.15
Rot. Bonds7

About 4-amino-3-methoxy-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide

4-amino-3-methoxy-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide (PubChem CID 120591918) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide
PubChem CID120591918
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC Name4-amino-3-methoxy-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide
SMILESCOC(CN)CC(=O)NCc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C13H18N6O2/c1-21-11(7-14)6-12(20)15-8-9-2-4-10(5-3-9)13-16-18-19-17-13/h2-5,11H,6-8,14H2,1H3,(H,15,20)(H,16,17,18,19)
InChIKeyBCGZGWVWKPVJQP-UHFFFAOYSA-N
XLogP-0.15
TPSA118.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide
CID 145152753
2-(methylamino)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide
CID 119778407
4-amino-N-[(4-tert-butylphenyl)methyl]-3-methoxybutanamide
CID 120588034
4-amino-3-methoxy-N-[[4-(methoxymethyl)phenyl]methyl]butanamide;hydrochloride
CID 120588543
2-(4-methoxycyclohexyl)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide
CID 99631991
(2S)-2-amino-3,3-dimethyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide;hydrochloride
CID 119778410
4-amino-N-[2-(benzylamino)-2-oxoethyl]-3-methoxybutanamide
CID 103155317
5-[[(4-amino-3-methoxybutanoyl)amino]methyl]pyridine-2-carboxylic acid
CID 103156329
2-methyl-3-(methylamino)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]propanamide
CID 119778417
4-amino-3-methoxy-N-[(4-phenylmethoxyphenyl)methyl]butanamide
CID 120588235
4-amino-3-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
CID 120594872
4-amino-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-methoxybutanamide
CID 120597557

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide?
The IUPAC name of 4-amino-3-methoxy-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide (CID 120591918) is 4-amino-3-methoxy-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide is COC(CN)CC(=O)NCc1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of 4-amino-3-methoxy-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide?
The InChIKey is BCGZGWVWKPVJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2/c1-21-11(7-14)6-12(20)15-8-9-2-4-10(5-3-9)13-16-18-19-17-13/h2-5,11H,6-8,14H2,1H3,(H,15,20)(H,16,17,18,19).
What are the key properties of 4-amino-3-methoxy-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide?
4-amino-3-methoxy-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide has a molecular weight of 290.33 g/mol, XLogP of -0.15, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide is sourced from PubChem (CID 120591918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).