3-(cyclopropylamino)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide

C14H18N6O — CID 60866697

IUPAC3-(cyclopropylamino)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
SMILESCc1ccc(NC(=O)CCNC2CC2)cc1-n1cnnn1
InChIInChI=1S/C14H18N6O/c1-10-2-3-12(8-13(10)20-9-16-18-19-20)17-14(21)6-7-15-11-4-5-11/h2-3,8-9,11,15H,4-7H2,1H3,(H,17,21)
InChIKeyGQQXIOCBEQBUPI-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.05
Rot. Bonds6

About 3-(cyclopropylamino)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide

3-(cyclopropylamino)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide (PubChem CID 60866697) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
PubChem CID60866697
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name3-(cyclopropylamino)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
SMILESCc1ccc(NC(=O)CCNC2CC2)cc1-n1cnnn1
InChIInChI=1S/C14H18N6O/c1-10-2-3-12(8-13(10)20-9-16-18-19-20)17-14(21)6-7-15-11-4-5-11/h2-3,8-9,11,15H,4-7H2,1H3,(H,17,21)
InChIKeyGQQXIOCBEQBUPI-UHFFFAOYSA-N
XLogP1.05
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(cyclopropylmethylamino)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]acetamide;hydrochloride
CID 119720369
4-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]butanamide;hydrochloride
CID 119287688
2-[2-[4-methyl-3-(tetrazol-1-yl)anilino]-2-oxoethyl]sulfanylacetic acid
CID 104569427
2-(1-aminocyclobutyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]acetamide
CID 79843120
3-(furan-2-yl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
CID 39224251
ethyl 2-[4-methyl-3-(tetrazol-1-yl)anilino]-2-oxoacetate
CID 50776937
1,1-dimethyl-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea
CID 47033827
2-(cyclopropylamino)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 61260899
4-(cyclopropanecarbonyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide
CID 55697259
2-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]cyclopentane-1-carboxamide
CID 64823717
1-cyclohexyl-3-[4-methyl-3-(tetrazol-1-yl)phenyl]-1-propylurea
CID 75397346
3-chloro-2,2-dimethyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
CID 63678479

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide?
The IUPAC name of 3-(cyclopropylamino)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide (CID 60866697) is 3-(cyclopropylamino)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide?
The canonical SMILES for 3-(cyclopropylamino)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide is Cc1ccc(NC(=O)CCNC2CC2)cc1-n1cnnn1.
What is the InChIKey of 3-(cyclopropylamino)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide?
The InChIKey is GQQXIOCBEQBUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-10-2-3-12(8-13(10)20-9-16-18-19-20)17-14(21)6-7-15-11-4-5-11/h2-3,8-9,11,15H,4-7H2,1H3,(H,17,21).
What are the key properties of 3-(cyclopropylamino)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide?
3-(cyclopropylamino)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide has a molecular weight of 286.34 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 60866697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).