acetic acid;N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methyl-2-(4-methylanilino)propanamide

C23H30N2O4 — CID 171992334

IUPACacetic acid;N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methyl-2-(4-methylanilino)propanamide
SMILESCC(=O)O.Cc1ccc(NC(C)(C)C(=O)N(Cc2cccc(O)c2)C2CC2)cc1
InChIInChI=1S/C21H26N2O2.C2H4O2/c1-15-7-9-17(10-8-15)22-21(2,3)20(25)23(18-11-12-18)14-16-5-4-6-19(24)13-16;1-2(3)4/h4-10,13,18,22,24H,11-12,14H2,1-3H3;1H3,(H,3,4)
InChIKeyZXKIEOJNYFHXAX-UHFFFAOYSA-N
MW398.50 g/mol
LogP4.17
Rot. Bonds6

About acetic acid;N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methyl-2-(4-methylanilino)propanamide

acetic acid;N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methyl-2-(4-methylanilino)propanamide (PubChem CID 171992334) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is acetic acid;N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methyl-2-(4-methylanilino)propanamide.

Molecular Properties

Compound Nameacetic acid;N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methyl-2-(4-methylanilino)propanamide
PubChem CID171992334
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Nameacetic acid;N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methyl-2-(4-methylanilino)propanamide
SMILESCC(=O)O.Cc1ccc(NC(C)(C)C(=O)N(Cc2cccc(O)c2)C2CC2)cc1
InChIInChI=1S/C21H26N2O2.C2H4O2/c1-15-7-9-17(10-8-15)22-21(2,3)20(25)23(18-11-12-18)14-16-5-4-6-19(24)13-16;1-2(3)4/h4-10,13,18,22,24H,11-12,14H2,1-3H3;1H3,(H,3,4)
InChIKeyZXKIEOJNYFHXAX-UHFFFAOYSA-N
XLogP4.17
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methylpropanamide
CID 114328289
(2R)-2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-3,3-dimethylbutanamide
CID 103929366
N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]benzamide
CID 64592060
2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide
CID 60964232
(E)-4-[cyclopropyl-[(3-methylphenyl)methyl]amino]-4-oxobut-2-enoic acid
CID 39360084
3-[cyclopropyl-[(3-hydroxyphenyl)methyl]amino]propanoic acid
CID 65054828
N-benzyl-N-cyclopropyl-2-(3-hydroxyphenyl)acetamide
CID 71935827
2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]cyclopropane-1-carboxamide
CID 114997619
(2S)-2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]pentanamide
CID 93375654
N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-propoxyacetamide
CID 103801005
4-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-1-methylpyrrole-2-carboxamide
CID 60956180
N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 70750734

Frequently Asked Questions

What is the IUPAC name of acetic acid;N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methyl-2-(4-methylanilino)propanamide?
The IUPAC name of acetic acid;N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methyl-2-(4-methylanilino)propanamide (CID 171992334) is acetic acid;N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methyl-2-(4-methylanilino)propanamide.
What is the SMILES notation for acetic acid;N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methyl-2-(4-methylanilino)propanamide?
The canonical SMILES for acetic acid;N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methyl-2-(4-methylanilino)propanamide is CC(=O)O.Cc1ccc(NC(C)(C)C(=O)N(Cc2cccc(O)c2)C2CC2)cc1.
What is the InChIKey of acetic acid;N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methyl-2-(4-methylanilino)propanamide?
The InChIKey is ZXKIEOJNYFHXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2.C2H4O2/c1-15-7-9-17(10-8-15)22-21(2,3)20(25)23(18-11-12-18)14-16-5-4-6-19(24)13-16;1-2(3)4/h4-10,13,18,22,24H,11-12,14H2,1-3H3;1H3,(H,3,4).
What are the key properties of acetic acid;N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methyl-2-(4-methylanilino)propanamide?
acetic acid;N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methyl-2-(4-methylanilino)propanamide has a molecular weight of 398.50 g/mol, XLogP of 4.17, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methyl-2-(4-methylanilino)propanamide is sourced from PubChem (CID 171992334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).