N-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]phenyl]-2-[ethyl(2-methoxyethyl)amino]-2-(3-methoxyphenyl)acetamide

C23H30N4O3 — CID 137432702

IUPACN-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]phenyl]-2-[ethyl(2-methoxyethyl)amino]-2-(3-methoxyphenyl)acetamide
SMILES[H]/N=C/C(=C\N)c1ccc(NC(=O)C(c2cccc(OC)c2)N(CC)CCOC)cc1
InChIInChI=1S/C23H30N4O3/c1-4-27(12-13-29-2)22(18-6-5-7-21(14-18)30-3)23(28)26-20-10-8-17(9-11-20)19(15-24)16-25/h5-11,14-16,22,24H,4,12-13,25H2,1-3H3,(H,26,28)/b19-16+,24-15+
InChIKeyJKIHLNBWHDUVGS-MAUBWLBLSA-N
MW410.52 g/mol
LogP3.29
Rot. Bonds11

About N-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]phenyl]-2-[ethyl(2-methoxyethyl)amino]-2-(3-methoxyphenyl)acetamide

N-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]phenyl]-2-[ethyl(2-methoxyethyl)amino]-2-(3-methoxyphenyl)acetamide (PubChem CID 137432702) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]phenyl]-2-[ethyl(2-methoxyethyl)amino]-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]phenyl]-2-[ethyl(2-methoxyethyl)amino]-2-(3-methoxyphenyl)acetamide
PubChem CID137432702
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC NameN-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]phenyl]-2-[ethyl(2-methoxyethyl)amino]-2-(3-methoxyphenyl)acetamide
SMILES[H]/N=C/C(=C\N)c1ccc(NC(=O)C(c2cccc(OC)c2)N(CC)CCOC)cc1
InChIInChI=1S/C23H30N4O3/c1-4-27(12-13-29-2)22(18-6-5-7-21(14-18)30-3)23(28)26-20-10-8-17(9-11-20)19(15-24)16-25/h5-11,14-16,22,24H,4,12-13,25H2,1-3H3,(H,26,28)/b19-16+,24-15+
InChIKeyJKIHLNBWHDUVGS-MAUBWLBLSA-N
XLogP3.29
TPSA100.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-N-[1-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]isoquinoline-3-carboxamide
CID 146207327
2-[ethyl-[1-(3-methoxyphenyl)ethyl]amino]-N-(4-sulfamoylphenyl)acetamide
CID 55700187
methyl 3-methoxy-2-(3-methoxyphenyl)propanoate
CID 117243532
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3,4-difluorobenzamide
CID 46545764
2-(dipropylamino)-2-(3-methoxyphenyl)acetic acid
CID 84746584
1,1-bis(2-methoxyethyl)-3-(3-methoxyphenyl)urea
CID 108869156
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 51283227
N-[4-(diethylcarbamoyl)phenyl]-3-methoxybenzamide
CID 7942192
N-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]phenyl]-3-(2-chlorophenyl)propanamide
CID 144631450
3-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 119837714
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 51283235
ethyl 2-[ethyl(2-methoxyethyl)amino]-2-phenylacetate
CID 103873121

Frequently Asked Questions

What is the IUPAC name of N-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]phenyl]-2-[ethyl(2-methoxyethyl)amino]-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]phenyl]-2-[ethyl(2-methoxyethyl)amino]-2-(3-methoxyphenyl)acetamide (CID 137432702) is N-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]phenyl]-2-[ethyl(2-methoxyethyl)amino]-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]phenyl]-2-[ethyl(2-methoxyethyl)amino]-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]phenyl]-2-[ethyl(2-methoxyethyl)amino]-2-(3-methoxyphenyl)acetamide is [H]/N=C/C(=C\N)c1ccc(NC(=O)C(c2cccc(OC)c2)N(CC)CCOC)cc1.
What is the InChIKey of N-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]phenyl]-2-[ethyl(2-methoxyethyl)amino]-2-(3-methoxyphenyl)acetamide?
The InChIKey is JKIHLNBWHDUVGS-MAUBWLBLSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-4-27(12-13-29-2)22(18-6-5-7-21(14-18)30-3)23(28)26-20-10-8-17(9-11-20)19(15-24)16-25/h5-11,14-16,22,24H,4,12-13,25H2,1-3H3,(H,26,28)/b19-16+,24-15+.
What are the key properties of N-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]phenyl]-2-[ethyl(2-methoxyethyl)amino]-2-(3-methoxyphenyl)acetamide?
N-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]phenyl]-2-[ethyl(2-methoxyethyl)amino]-2-(3-methoxyphenyl)acetamide has a molecular weight of 410.52 g/mol, XLogP of 3.29, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]phenyl]-2-[ethyl(2-methoxyethyl)amino]-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 137432702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).