N-cyclopropyl-3-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]propanamide

C16H21N3O2 — CID 114337184

IUPACN-cyclopropyl-3-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]propanamide
SMILESO=C(CCN1CCC/C(=N/O)c2ccccc21)NC1CC1
InChIInChI=1S/C16H21N3O2/c20-16(17-12-7-8-12)9-11-19-10-3-5-14(18-21)13-4-1-2-6-15(13)19/h1-2,4,6,12,21H,3,5,7-11H2,(H,17,20)/b18-14-
InChIKeyNFTZCLDQGLGTIB-JXAWBTAJSA-N
MW287.36 g/mol
LogP2.13
Rot. Bonds4

About N-cyclopropyl-3-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]propanamide

N-cyclopropyl-3-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]propanamide (PubChem CID 114337184) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-cyclopropyl-3-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]propanamide
PubChem CID114337184
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-cyclopropyl-3-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]propanamide
SMILESO=C(CCN1CCC/C(=N/O)c2ccccc21)NC1CC1
InChIInChI=1S/C16H21N3O2/c20-16(17-12-7-8-12)9-11-19-10-3-5-14(18-21)13-4-1-2-6-15(13)19/h1-2,4,6,12,21H,3,5,7-11H2,(H,17,20)/b18-14-
InChIKeyNFTZCLDQGLGTIB-JXAWBTAJSA-N
XLogP2.13
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-2-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]acetamide
CID 114337164
(NZ)-N-[1-(2-methoxyethyl)-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine
CID 114337205
N-(cyanomethyl)-2-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]acetamide
CID 114337260
N-butan-2-yl-2-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]acetamide
CID 114337162
N-ethyl-2-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]-N-methylacetamide
CID 114337176
(NZ)-N-[1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine
CID 114337325
cyclohexyl-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]methanone
CID 114337075
N-cyclohexyl-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 8686666
(NZ)-N-[1-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 107912556
(4Z)-N-cyclopropyl-4-hydroxyimino-2,3-dihydroquinoline-1-sulfonamide
CID 114809006
(NZ)-N-[1-[3-(2-methoxyethoxy)propyl]-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 103410031
(NZ)-N-[1-(2-ethylhexyl)-3,4-dihydro-2H-1-benzazepin-5-ylidene]hydroxylamine
CID 114337326

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]propanamide?
The IUPAC name of N-cyclopropyl-3-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]propanamide (CID 114337184) is N-cyclopropyl-3-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]propanamide is O=C(CCN1CCC/C(=N/O)c2ccccc21)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]propanamide?
The InChIKey is NFTZCLDQGLGTIB-JXAWBTAJSA-N. The full InChI is InChI=1S/C16H21N3O2/c20-16(17-12-7-8-12)9-11-19-10-3-5-14(18-21)13-4-1-2-6-15(13)19/h1-2,4,6,12,21H,3,5,7-11H2,(H,17,20)/b18-14-.
What are the key properties of N-cyclopropyl-3-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]propanamide?
N-cyclopropyl-3-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]propanamide has a molecular weight of 287.36 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]propanamide is sourced from PubChem (CID 114337184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).