3-(propan-2-ylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide

C13H18N6O — CID 60852912

IUPAC3-(propan-2-ylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
SMILESCC(C)NCCC(=O)Nc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C13H18N6O/c1-9(2)14-7-6-12(20)15-11-5-3-4-10(8-11)13-16-18-19-17-13/h3-5,8-9,14H,6-7H2,1-2H3,(H,15,20)(H,16,17,18,19)
InChIKeyRFWFTMPRCPLCTL-UHFFFAOYSA-N
MW274.33 g/mol
LogP1.19
Rot. Bonds6

About 3-(propan-2-ylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide

3-(propan-2-ylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide (PubChem CID 60852912) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 3-(propan-2-ylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(propan-2-ylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
PubChem CID60852912
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name3-(propan-2-ylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
SMILESCC(C)NCCC(=O)Nc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C13H18N6O/c1-9(2)14-7-6-12(20)15-11-5-3-4-10(8-11)13-16-18-19-17-13/h3-5,8-9,14H,6-7H2,1-2H3,(H,15,20)(H,16,17,18,19)
InChIKeyRFWFTMPRCPLCTL-UHFFFAOYSA-N
XLogP1.19
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(ethylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 62832165
4-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide
CID 60842609
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(propan-2-ylamino)propanamide
CID 60928392
2-(1-hydroxycyclopentyl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
CID 111536432
3-(2-methylphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 110720294
3-amino-2-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 55104793
2-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 62639485
(2S)-2-amino-3-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide
CID 61178824
2-(3,4-dimethoxyphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
CID 110743282
ethyl N-[3-(2H-tetrazol-5-yl)phenyl]carbamate
CID 17164270
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 155946246
2-(6-oxaspiro[3.5]nonan-7-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
CID 166253071

Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-ylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide?
The IUPAC name of 3-(propan-2-ylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide (CID 60852912) is 3-(propan-2-ylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide.
What is the SMILES notation for 3-(propan-2-ylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide?
The canonical SMILES for 3-(propan-2-ylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide is CC(C)NCCC(=O)Nc1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of 3-(propan-2-ylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide?
The InChIKey is RFWFTMPRCPLCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-9(2)14-7-6-12(20)15-11-5-3-4-10(8-11)13-16-18-19-17-13/h3-5,8-9,14H,6-7H2,1-2H3,(H,15,20)(H,16,17,18,19).
What are the key properties of 3-(propan-2-ylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide?
3-(propan-2-ylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide has a molecular weight of 274.33 g/mol, XLogP of 1.19, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-ylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide is sourced from PubChem (CID 60852912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).