N-[3-amino-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-4-(2-methylpropoxy)benzamide

C21H24N2O4 — CID 1118010

IUPACN-[3-amino-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-4-(2-methylpropoxy)benzamide
SMILESCOc1ccc(C=C(NC(=O)c2ccc(OCC(C)C)cc2)C(N)=O)cc1
InChIInChI=1S/C21H24N2O4/c1-14(2)13-27-18-10-6-16(7-11-18)21(25)23-19(20(22)24)12-15-4-8-17(26-3)9-5-15/h4-12,14H,13H2,1-3H3,(H2,22,24)(H,23,25)
InChIKeyXVCXVMXRGRUIAU-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.99
Rot. Bonds8

About N-[3-amino-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-4-(2-methylpropoxy)benzamide

N-[3-amino-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-4-(2-methylpropoxy)benzamide (PubChem CID 1118010) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[3-amino-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-[3-amino-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-4-(2-methylpropoxy)benzamide
PubChem CID1118010
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-[3-amino-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-4-(2-methylpropoxy)benzamide
SMILESCOc1ccc(C=C(NC(=O)c2ccc(OCC(C)C)cc2)C(N)=O)cc1
InChIInChI=1S/C21H24N2O4/c1-14(2)13-27-18-10-6-16(7-11-18)21(25)23-19(20(22)24)12-15-4-8-17(26-3)9-5-15/h4-12,14H,13H2,1-3H3,(H2,22,24)(H,23,25)
InChIKeyXVCXVMXRGRUIAU-UHFFFAOYSA-N
XLogP2.99
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-3-amino-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-4-(2-methylpropoxy)benzamide
CID 7380816
N-[3-(2-hydroxyethylamino)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-4-(2-methylpropoxy)benzamide
CID 3129001
2-[[4-(2-methylpropoxy)benzoyl]amino]-3-(4-propan-2-yloxyphenyl)prop-2-enoic acid
CID 3807557
N-[(E)-1-[4-(difluoromethoxy)phenyl]-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]-4-(2-methylpropoxy)benzamide
CID 66812067
2-methylpropyl (Z)-2-[(3-bromobenzoyl)amino]-3-(4-methoxyphenyl)prop-2-enoate
CID 25251140
N-[(E)-3-(4-acetylanilino)-1-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-4-(2-methylpropoxy)benzamide
CID 2252769
(4-methoxyphenyl)-[4-(2-methylpropoxy)phenyl]methanone
CID 5023093
2-methylpropyl (Z)-3-(1,3-benzodioxol-5-yl)-2-[[4-(2-methylpropoxy)benzoyl]amino]prop-2-enoate
CID 6062932
N-[(E)-3-(2-hydroxyethylamino)-1-naphthalen-2-yl-3-oxoprop-1-en-2-yl]-4-(2-methylpropoxy)benzamide
CID 66812430
N-[1-(4-chlorophenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-4-(2-methylpropoxy)benzamide
CID 1337441
N-[3-amino-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide
CID 2896836
N-[3-amino-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-2-methylbenzamide
CID 889716

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-4-(2-methylpropoxy)benzamide?
The IUPAC name of N-[3-amino-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-4-(2-methylpropoxy)benzamide (CID 1118010) is N-[3-amino-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-[3-amino-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-4-(2-methylpropoxy)benzamide?
The canonical SMILES for N-[3-amino-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-4-(2-methylpropoxy)benzamide is COc1ccc(C=C(NC(=O)c2ccc(OCC(C)C)cc2)C(N)=O)cc1.
What is the InChIKey of N-[3-amino-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-4-(2-methylpropoxy)benzamide?
The InChIKey is XVCXVMXRGRUIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-14(2)13-27-18-10-6-16(7-11-18)21(25)23-19(20(22)24)12-15-4-8-17(26-3)9-5-15/h4-12,14H,13H2,1-3H3,(H2,22,24)(H,23,25).
What are the key properties of N-[3-amino-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-4-(2-methylpropoxy)benzamide?
N-[3-amino-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-4-(2-methylpropoxy)benzamide has a molecular weight of 368.43 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 1118010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).