(3S)-N,N-dimethyl-2-oxo-3-propan-2-yl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxamide

C15H21N3O2 — CID 163293110

IUPAC(3S)-N,N-dimethyl-2-oxo-3-propan-2-yl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxamide
SMILESCC(C)[C@H]1C(=O)Nc2ccccc2CN1C(=O)N(C)C
InChIInChI=1S/C15H21N3O2/c1-10(2)13-14(19)16-12-8-6-5-7-11(12)9-18(13)15(20)17(3)4/h5-8,10,13H,9H2,1-4H3,(H,16,19)/t13-/m0/s1
InChIKeyMYQZPEOTWCATCK-ZDUSSCGKSA-N
MW275.35 g/mol
LogP2.15
Rot. Bonds1

About (3S)-N,N-dimethyl-2-oxo-3-propan-2-yl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxamide

(3S)-N,N-dimethyl-2-oxo-3-propan-2-yl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxamide (PubChem CID 163293110) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is (3S)-N,N-dimethyl-2-oxo-3-propan-2-yl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxamide.

Molecular Properties

Compound Name(3S)-N,N-dimethyl-2-oxo-3-propan-2-yl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxamide
PubChem CID163293110
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name(3S)-N,N-dimethyl-2-oxo-3-propan-2-yl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxamide
SMILESCC(C)[C@H]1C(=O)Nc2ccccc2CN1C(=O)N(C)C
InChIInChI=1S/C15H21N3O2/c1-10(2)13-14(19)16-12-8-6-5-7-11(12)9-18(13)15(20)17(3)4/h5-8,10,13H,9H2,1-4H3,(H,16,19)/t13-/m0/s1
InChIKeyMYQZPEOTWCATCK-ZDUSSCGKSA-N
XLogP2.15
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-dimethyl-2-oxo-3-propan-2-yl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxamide?
The IUPAC name of (3S)-N,N-dimethyl-2-oxo-3-propan-2-yl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxamide (CID 163293110) is (3S)-N,N-dimethyl-2-oxo-3-propan-2-yl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxamide.
What is the SMILES notation for (3S)-N,N-dimethyl-2-oxo-3-propan-2-yl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxamide?
The canonical SMILES for (3S)-N,N-dimethyl-2-oxo-3-propan-2-yl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxamide is CC(C)[C@H]1C(=O)Nc2ccccc2CN1C(=O)N(C)C.
What is the InChIKey of (3S)-N,N-dimethyl-2-oxo-3-propan-2-yl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxamide?
The InChIKey is MYQZPEOTWCATCK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10(2)13-14(19)16-12-8-6-5-7-11(12)9-18(13)15(20)17(3)4/h5-8,10,13H,9H2,1-4H3,(H,16,19)/t13-/m0/s1.
What are the key properties of (3S)-N,N-dimethyl-2-oxo-3-propan-2-yl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxamide?
(3S)-N,N-dimethyl-2-oxo-3-propan-2-yl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-dimethyl-2-oxo-3-propan-2-yl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxamide is sourced from PubChem (CID 163293110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).