acetic acid;N-[(Z)-[1-amino-4-(4-propan-2-yloxyphenyl)butylidene]amino]-N-[(4-methylphenyl)methyl]formamide

C24H33N3O4 — CID 143273736

IUPACacetic acid;N-[(Z)-[1-amino-4-(4-propan-2-yloxyphenyl)butylidene]amino]-N-[(4-methylphenyl)methyl]formamide
SMILESCC(=O)O.Cc1ccc(CN(C=O)/N=C(\N)CCCc2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C22H29N3O2.C2H4O2/c1-17(2)27-21-13-11-19(12-14-21)5-4-6-22(23)24-25(16-26)15-20-9-7-18(3)8-10-20;1-2(3)4/h7-14,16-17H,4-6,15H2,1-3H3,(H2,23,24);1H3,(H,3,4)
InChIKeyNHHQCWAEPPRLMZ-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.13
Rot. Bonds10

About acetic acid;N-[(Z)-[1-amino-4-(4-propan-2-yloxyphenyl)butylidene]amino]-N-[(4-methylphenyl)methyl]formamide

acetic acid;N-[(Z)-[1-amino-4-(4-propan-2-yloxyphenyl)butylidene]amino]-N-[(4-methylphenyl)methyl]formamide (PubChem CID 143273736) has the molecular formula C24H33N3O4 and a molecular weight of 427.55 g/mol. Its IUPAC name is acetic acid;N-[(Z)-[1-amino-4-(4-propan-2-yloxyphenyl)butylidene]amino]-N-[(4-methylphenyl)methyl]formamide.

Molecular Properties

Compound Nameacetic acid;N-[(Z)-[1-amino-4-(4-propan-2-yloxyphenyl)butylidene]amino]-N-[(4-methylphenyl)methyl]formamide
PubChem CID143273736
Molecular FormulaC24H33N3O4
Molecular Weight427.55 g/mol
Exact Mass427.25
IUPAC Nameacetic acid;N-[(Z)-[1-amino-4-(4-propan-2-yloxyphenyl)butylidene]amino]-N-[(4-methylphenyl)methyl]formamide
SMILESCC(=O)O.Cc1ccc(CN(C=O)/N=C(\N)CCCc2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C22H29N3O2.C2H4O2/c1-17(2)27-21-13-11-19(12-14-21)5-4-6-22(23)24-25(16-26)15-20-9-7-18(3)8-10-20;1-2(3)4/h7-14,16-17H,4-6,15H2,1-3H3,(H2,23,24);1H3,(H,3,4)
InChIKeyNHHQCWAEPPRLMZ-UHFFFAOYSA-N
XLogP4.13
TPSA105.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze acetic acid;N-[(Z)-[1-amino-4-(4-propan-2-yloxyphenyl)butylidene]amino]-N-[(4-methylphenyl)methyl]formamide with MolForge

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Related Compounds

4-(4-propan-2-yloxyphenyl)butan-2-one
CID 24710648
acetic acid;2-[(4-methylphenyl)methyl]-5-[3-(4-propan-2-yloxyphenyl)propyl]-4H-1,2,4-triazol-3-one
CID 143273738
propan-2-yl N-formyl-N-[(4-methylphenyl)methyl]carbamate
CID 142928968
4-[4-(4-propan-2-yloxyphenyl)butanoylamino]butanoic acid
CID 94966713
4-[methyl-[(4-propan-2-yloxyphenyl)methyl]amino]butan-2-one
CID 115235805
N-carbamoyl-3-(4-propan-2-yloxyphenyl)propanamide
CID 173014561
ethyl 4-(4-methylphenyl)butanoate
CID 10013221
5-(4-propan-2-yloxyphenyl)pentan-1-amine
CID 54244328
2-[2-(4-propan-2-yloxyphenyl)ethylamino]acetamide
CID 115260110
3-(4-propan-2-yloxyphenyl)propanethioamide
CID 83932816
N-(3-amino-3-oxopropyl)-N-benzyl-2-(4-methylphenoxy)propanamide
CID 43888170
copper;3-(4-propan-2-yloxyphenyl)propan-1-ol
CID 70633990

Frequently Asked Questions

What is the IUPAC name of acetic acid;N-[(Z)-[1-amino-4-(4-propan-2-yloxyphenyl)butylidene]amino]-N-[(4-methylphenyl)methyl]formamide?
The IUPAC name of acetic acid;N-[(Z)-[1-amino-4-(4-propan-2-yloxyphenyl)butylidene]amino]-N-[(4-methylphenyl)methyl]formamide (CID 143273736) is acetic acid;N-[(Z)-[1-amino-4-(4-propan-2-yloxyphenyl)butylidene]amino]-N-[(4-methylphenyl)methyl]formamide.
What is the SMILES notation for acetic acid;N-[(Z)-[1-amino-4-(4-propan-2-yloxyphenyl)butylidene]amino]-N-[(4-methylphenyl)methyl]formamide?
The canonical SMILES for acetic acid;N-[(Z)-[1-amino-4-(4-propan-2-yloxyphenyl)butylidene]amino]-N-[(4-methylphenyl)methyl]formamide is CC(=O)O.Cc1ccc(CN(C=O)/N=C(\N)CCCc2ccc(OC(C)C)cc2)cc1.
What is the InChIKey of acetic acid;N-[(Z)-[1-amino-4-(4-propan-2-yloxyphenyl)butylidene]amino]-N-[(4-methylphenyl)methyl]formamide?
The InChIKey is NHHQCWAEPPRLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2.C2H4O2/c1-17(2)27-21-13-11-19(12-14-21)5-4-6-22(23)24-25(16-26)15-20-9-7-18(3)8-10-20;1-2(3)4/h7-14,16-17H,4-6,15H2,1-3H3,(H2,23,24);1H3,(H,3,4).
What are the key properties of acetic acid;N-[(Z)-[1-amino-4-(4-propan-2-yloxyphenyl)butylidene]amino]-N-[(4-methylphenyl)methyl]formamide?
acetic acid;N-[(Z)-[1-amino-4-(4-propan-2-yloxyphenyl)butylidene]amino]-N-[(4-methylphenyl)methyl]formamide has a molecular weight of 427.55 g/mol, XLogP of 4.13, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N-[(Z)-[1-amino-4-(4-propan-2-yloxyphenyl)butylidene]amino]-N-[(4-methylphenyl)methyl]formamide is sourced from PubChem (CID 143273736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).