(E)-N-[(2,4-dimethoxyphenyl)methyl]-N-(3-hydroxy-2,2-dimethylpropyl)-3-(4-methoxyphenyl)prop-2-enamide

C24H31NO5 — CID 11844639

IUPAC(E)-N-[(2,4-dimethoxyphenyl)methyl]-N-(3-hydroxy-2,2-dimethylpropyl)-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)N(Cc2ccc(OC)cc2OC)CC(C)(C)CO)cc1
InChIInChI=1S/C24H31NO5/c1-24(2,17-26)16-25(15-19-9-12-21(29-4)14-22(19)30-5)23(27)13-8-18-6-10-20(28-3)11-7-18/h6-14,26H,15-17H2,1-5H3/b13-8+
InChIKeyDHNUDSZPRSQEFW-MDWZMJQESA-N
MW413.51 g/mol
LogP3.77
Rot. Bonds10

About (E)-N-[(2,4-dimethoxyphenyl)methyl]-N-(3-hydroxy-2,2-dimethylpropyl)-3-(4-methoxyphenyl)prop-2-enamide

(E)-N-[(2,4-dimethoxyphenyl)methyl]-N-(3-hydroxy-2,2-dimethylpropyl)-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 11844639) has the molecular formula C24H31NO5 and a molecular weight of 413.51 g/mol. Its IUPAC name is (E)-N-[(2,4-dimethoxyphenyl)methyl]-N-(3-hydroxy-2,2-dimethylpropyl)-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2,4-dimethoxyphenyl)methyl]-N-(3-hydroxy-2,2-dimethylpropyl)-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID11844639
Molecular FormulaC24H31NO5
Molecular Weight413.51 g/mol
Exact Mass413.22
IUPAC Name(E)-N-[(2,4-dimethoxyphenyl)methyl]-N-(3-hydroxy-2,2-dimethylpropyl)-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)N(Cc2ccc(OC)cc2OC)CC(C)(C)CO)cc1
InChIInChI=1S/C24H31NO5/c1-24(2,17-26)16-25(15-19-9-12-21(29-4)14-22(19)30-5)23(27)13-8-18-6-10-20(28-3)11-7-18/h6-14,26H,15-17H2,1-5H3/b13-8+
InChIKeyDHNUDSZPRSQEFW-MDWZMJQESA-N
XLogP3.77
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.51
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[(2,4-dimethoxyphenyl)methoxy]-N-ethyl-3-(4-formylphenyl)prop-2-enamide
CID 59687116
3-(4-methoxyphenyl)-N,N-dipropylprop-2-enamide
CID 3500968
N-methoxy-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 54257265
(E)-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 33080396
tert-butyl N-[(2,4-dimethoxyphenyl)methyl]-N-(5-oxopentyl)carbamate
CID 88898761
[2,5-dimethoxy-4-[3-(4-methoxyphenyl)prop-2-enoyloxymethyl]phenyl]methyl 3-(4-methoxyphenyl)prop-2-enoate
CID 74061768
(E)-N-hydroxy-N,3-bis(4-methoxyphenyl)prop-2-enamide
CID 66561051
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 94687468
2-[tert-butyl-[(2,4-dimethoxyphenyl)methyl]amino]acetic acid
CID 79268622
N-[(2,4-dimethoxyphenyl)methyl]-N-prop-2-enylbut-3-enamide
CID 24796878
(E)-3-(6-methoxynaphthalen-2-yl)-N,N-dimethylprop-2-enamide
CID 39001200
(E)-3-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 5378566

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2,4-dimethoxyphenyl)methyl]-N-(3-hydroxy-2,2-dimethylpropyl)-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[(2,4-dimethoxyphenyl)methyl]-N-(3-hydroxy-2,2-dimethylpropyl)-3-(4-methoxyphenyl)prop-2-enamide (CID 11844639) is (E)-N-[(2,4-dimethoxyphenyl)methyl]-N-(3-hydroxy-2,2-dimethylpropyl)-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(2,4-dimethoxyphenyl)methyl]-N-(3-hydroxy-2,2-dimethylpropyl)-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[(2,4-dimethoxyphenyl)methyl]-N-(3-hydroxy-2,2-dimethylpropyl)-3-(4-methoxyphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)N(Cc2ccc(OC)cc2OC)CC(C)(C)CO)cc1.
What is the InChIKey of (E)-N-[(2,4-dimethoxyphenyl)methyl]-N-(3-hydroxy-2,2-dimethylpropyl)-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is DHNUDSZPRSQEFW-MDWZMJQESA-N. The full InChI is InChI=1S/C24H31NO5/c1-24(2,17-26)16-25(15-19-9-12-21(29-4)14-22(19)30-5)23(27)13-8-18-6-10-20(28-3)11-7-18/h6-14,26H,15-17H2,1-5H3/b13-8+.
What are the key properties of (E)-N-[(2,4-dimethoxyphenyl)methyl]-N-(3-hydroxy-2,2-dimethylpropyl)-3-(4-methoxyphenyl)prop-2-enamide?
(E)-N-[(2,4-dimethoxyphenyl)methyl]-N-(3-hydroxy-2,2-dimethylpropyl)-3-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 413.51 g/mol, XLogP of 3.77, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2,4-dimethoxyphenyl)methyl]-N-(3-hydroxy-2,2-dimethylpropyl)-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 11844639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).