N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-4-propan-2-yloxybenzamide

C20H25N3O2 — CID 9215396

IUPACN-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-4-propan-2-yloxybenzamide
SMILESC/C(=N/NC(=O)c1ccc(OC(C)C)cc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C20H25N3O2/c1-14(2)25-19-12-8-17(9-13-19)20(24)22-21-15(3)16-6-10-18(11-7-16)23(4)5/h6-14H,1-5H3,(H,22,24)/b21-15-
InChIKeyTXBCSCQJNGPSRL-QNGOZBTKSA-N
MW339.44 g/mol
LogP3.69
Rot. Bonds6

About N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-4-propan-2-yloxybenzamide

N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-4-propan-2-yloxybenzamide (PubChem CID 9215396) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-4-propan-2-yloxybenzamide
PubChem CID9215396
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-4-propan-2-yloxybenzamide
SMILESC/C(=N/NC(=O)c1ccc(OC(C)C)cc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C20H25N3O2/c1-14(2)25-19-12-8-17(9-13-19)20(24)22-21-15(3)16-6-10-18(11-7-16)23(4)5/h6-14H,1-5H3,(H,22,24)/b21-15-
InChIKeyTXBCSCQJNGPSRL-QNGOZBTKSA-N
XLogP3.69
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-1-phenylethylideneamino]-4-propan-2-yloxybenzamide
CID 9215513
3,4,5-trimethoxy-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]benzamide
CID 9231843
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-4-propan-2-yloxybenzamide
CID 9215676
N-[(Z)-1-(2,4-difluorophenyl)ethylideneamino]-4-propan-2-yloxybenzamide
CID 9215314
2-methyl-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]furan-3-carboxamide
CID 9359525
4-propan-2-yloxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 9215537
ethyl N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]carbamate
CID 9075932
N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-4-methoxybenzamide
CID 9359355
N-[2-[4-(dimethylamino)phenyl]ethyl]-4-propan-2-yloxybenzamide
CID 16889377
4-(dimethylamino)-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide
CID 135685330
2-[3-[(Z)-C-methyl-N-[(4-propan-2-yloxybenzoyl)amino]carbonimidoyl]phenoxy]acetic acid
CID 9215286
N,N-dimethyl-4-(4-propan-2-yloxyphenyl)aniline
CID 159991714

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-4-propan-2-yloxybenzamide (CID 9215396) is N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-4-propan-2-yloxybenzamide is C/C(=N/NC(=O)c1ccc(OC(C)C)cc1)c1ccc(N(C)C)cc1.
What is the InChIKey of N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-4-propan-2-yloxybenzamide?
The InChIKey is TXBCSCQJNGPSRL-QNGOZBTKSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14(2)25-19-12-8-17(9-13-19)20(24)22-21-15(3)16-6-10-18(11-7-16)23(4)5/h6-14H,1-5H3,(H,22,24)/b21-15-.
What are the key properties of N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-4-propan-2-yloxybenzamide?
N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-4-propan-2-yloxybenzamide has a molecular weight of 339.44 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 9215396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).