N-[3-[3-(dimethylamino)prop-2-enoyl]phenyl]-N-ethylazete-2-carboxamide

C17H19N3O2 — CID 69383812

IUPACN-[3-[3-(dimethylamino)prop-2-enoyl]phenyl]-N-ethylazete-2-carboxamide
SMILESCCN(C(=O)C1=NC=C1)c1cccc(C(=O)C=CN(C)C)c1
InChIInChI=1S/C17H19N3O2/c1-4-20(17(22)15-8-10-18-15)14-7-5-6-13(12-14)16(21)9-11-19(2)3/h5-12H,4H2,1-3H3
InChIKeyMYVLTFVRFSWBAB-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.27
Rot. Bonds6

About N-[3-[3-(dimethylamino)prop-2-enoyl]phenyl]-N-ethylazete-2-carboxamide

N-[3-[3-(dimethylamino)prop-2-enoyl]phenyl]-N-ethylazete-2-carboxamide (PubChem CID 69383812) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[3-[3-(dimethylamino)prop-2-enoyl]phenyl]-N-ethylazete-2-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(dimethylamino)prop-2-enoyl]phenyl]-N-ethylazete-2-carboxamide
PubChem CID69383812
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-[3-[3-(dimethylamino)prop-2-enoyl]phenyl]-N-ethylazete-2-carboxamide
SMILESCCN(C(=O)C1=NC=C1)c1cccc(C(=O)C=CN(C)C)c1
InChIInChI=1S/C17H19N3O2/c1-4-20(17(22)15-8-10-18-15)14-7-5-6-13(12-14)16(21)9-11-19(2)3/h5-12H,4H2,1-3H3
InChIKeyMYVLTFVRFSWBAB-UHFFFAOYSA-N
XLogP2.27
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-[3-(dimethylamino)prop-2-enoyl]phenyl]-N-ethylethanesulfonamide
CID 67195903
1-(3-bromophenyl)-3-(dimethylamino)prop-2-en-1-one
CID 2806204
3-(dimethylamino)-1-(3-methylphenyl)prop-2-en-1-one
CID 7017237
(E)-3-(dimethylamino)-1-(3-methylphenyl)prop-2-en-1-one
CID 19807213
N-[3-[3-(dimethylamino)prop-2-enoyl]phenyl]-N-(trideuteriomethyl)acetamide
CID 91422730
3-(dimethylamino)-1-[3-(methylamino)phenyl]prop-2-en-1-one
CID 67198189
N-[3-[3-(dimethylamino)prop-2-enoyl]phenyl]-N,2,4-trimethyl-1,3-thiazole-5-sulfonamide
CID 67198995
N-(3-aminophenyl)-N-ethylbenzamide
CID 63229786
3-(dimethylamino)-1-quinolin-6-ylprop-2-en-1-one
CID 155675024
4-chloro-N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-N-methylbenzenesulfonamide
CID 67198187
N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-N-methylthiophene-2-sulfonamide
CID 67198905
(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one;ethanol
CID 141451458

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(dimethylamino)prop-2-enoyl]phenyl]-N-ethylazete-2-carboxamide?
The IUPAC name of N-[3-[3-(dimethylamino)prop-2-enoyl]phenyl]-N-ethylazete-2-carboxamide (CID 69383812) is N-[3-[3-(dimethylamino)prop-2-enoyl]phenyl]-N-ethylazete-2-carboxamide.
What is the SMILES notation for N-[3-[3-(dimethylamino)prop-2-enoyl]phenyl]-N-ethylazete-2-carboxamide?
The canonical SMILES for N-[3-[3-(dimethylamino)prop-2-enoyl]phenyl]-N-ethylazete-2-carboxamide is CCN(C(=O)C1=NC=C1)c1cccc(C(=O)C=CN(C)C)c1.
What is the InChIKey of N-[3-[3-(dimethylamino)prop-2-enoyl]phenyl]-N-ethylazete-2-carboxamide?
The InChIKey is MYVLTFVRFSWBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-4-20(17(22)15-8-10-18-15)14-7-5-6-13(12-14)16(21)9-11-19(2)3/h5-12H,4H2,1-3H3.
What are the key properties of N-[3-[3-(dimethylamino)prop-2-enoyl]phenyl]-N-ethylazete-2-carboxamide?
N-[3-[3-(dimethylamino)prop-2-enoyl]phenyl]-N-ethylazete-2-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(dimethylamino)prop-2-enoyl]phenyl]-N-ethylazete-2-carboxamide is sourced from PubChem (CID 69383812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).