1-methyl-N-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine-7-carboxamide

C15H22N2O — CID 58575703

IUPAC1-methyl-N-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
SMILESCC(C)NC(=O)c1ccc2c(c1)CCCCN2C
InChIInChI=1S/C15H22N2O/c1-11(2)16-15(18)13-7-8-14-12(10-13)6-4-5-9-17(14)3/h7-8,10-11H,4-6,9H2,1-3H3,(H,16,18)
InChIKeyABVVVILCMFUXJZ-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.60
Rot. Bonds2

About 1-methyl-N-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine-7-carboxamide

1-methyl-N-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine-7-carboxamide (PubChem CID 58575703) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-methyl-N-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine-7-carboxamide.

Molecular Properties

Compound Name1-methyl-N-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
PubChem CID58575703
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-methyl-N-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
SMILESCC(C)NC(=O)c1ccc2c(c1)CCCCN2C
InChIInChI=1S/C15H22N2O/c1-11(2)16-15(18)13-7-8-14-12(10-13)6-4-5-9-17(14)3/h7-8,10-11H,4-6,9H2,1-3H3,(H,16,18)
InChIKeyABVVVILCMFUXJZ-UHFFFAOYSA-N
XLogP2.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

fluoro 1-methyl-3,4-dihydro-2H-quinoline-6-carboxylate
CID 142338422
methyl 3-[(1-methyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]propanoate
CID 110485913
ethyl 2-[(1-methyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]acetate
CID 110485909
1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-nitropropan-1-one
CID 151369049
propan-2-yl 1-methyl-2,3-dihydroindole-5-carboxylate
CID 133062973
N-[2-(2-hydroxyethoxy)ethyl]-1-methyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 110485923
N-[(2S)-butan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95358601
N-(3-formamidopropyl)-1-methyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 110485916
1-methyl-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-quinoline-6-carboxamide
CID 110485892
ethane;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone
CID 91428758
4-(4-methylpiperazin-1-yl)-3-nitro-N-propan-2-ylbenzamide
CID 35869005
2-methyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]propanamide
CID 16837096

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine-7-carboxamide?
The IUPAC name of 1-methyl-N-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine-7-carboxamide (CID 58575703) is 1-methyl-N-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine-7-carboxamide.
What is the SMILES notation for 1-methyl-N-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine-7-carboxamide?
The canonical SMILES for 1-methyl-N-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine-7-carboxamide is CC(C)NC(=O)c1ccc2c(c1)CCCCN2C.
What is the InChIKey of 1-methyl-N-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine-7-carboxamide?
The InChIKey is ABVVVILCMFUXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(2)16-15(18)13-7-8-14-12(10-13)6-4-5-9-17(14)3/h7-8,10-11H,4-6,9H2,1-3H3,(H,16,18).
What are the key properties of 1-methyl-N-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine-7-carboxamide?
1-methyl-N-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine-7-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine-7-carboxamide is sourced from PubChem (CID 58575703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).