N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(4-methoxyphenyl)carbamoylamino]propanamide

C23H32N4O3 — CID 43072622

IUPACN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(4-methoxyphenyl)carbamoylamino]propanamide
SMILESCCc1ccc(C(CNC(=O)CCNC(=O)Nc2ccc(OC)cc2)N(C)C)cc1
InChIInChI=1S/C23H32N4O3/c1-5-17-6-8-18(9-7-17)21(27(2)3)16-25-22(28)14-15-24-23(29)26-19-10-12-20(30-4)13-11-19/h6-13,21H,5,14-16H2,1-4H3,(H,25,28)(H2,24,26,29)
InChIKeyYXECWPGSCCUWGT-UHFFFAOYSA-N
MW412.53 g/mol
LogP3.19
Rot. Bonds10

About N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(4-methoxyphenyl)carbamoylamino]propanamide

N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(4-methoxyphenyl)carbamoylamino]propanamide (PubChem CID 43072622) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(4-methoxyphenyl)carbamoylamino]propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(4-methoxyphenyl)carbamoylamino]propanamide
PubChem CID43072622
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC NameN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(4-methoxyphenyl)carbamoylamino]propanamide
SMILESCCc1ccc(C(CNC(=O)CCNC(=O)Nc2ccc(OC)cc2)N(C)C)cc1
InChIInChI=1S/C23H32N4O3/c1-5-17-6-8-18(9-7-17)21(27(2)3)16-25-22(28)14-15-24-23(29)26-19-10-12-20(30-4)13-11-19/h6-13,21H,5,14-16H2,1-4H3,(H,25,28)(H2,24,26,29)
InChIKeyYXECWPGSCCUWGT-UHFFFAOYSA-N
XLogP3.19
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]urea
CID 43001414
N-[3-[[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-3-oxopropyl]-2-methoxybenzamide
CID 30314343
3-[(4-methoxyphenyl)carbamoylamino]-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide
CID 46571064
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 45001828
N-[2-(dimethylamino)-2-phenylethyl]-2-(4-methoxyphenyl)acetamide
CID 45001416
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(1-methyl-6-oxo-3-pyridinyl)urea
CID 146080958
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(4-ethylphenyl)propanamide
CID 43044979
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(4-fluorophenyl)pentanamide
CID 110302068
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 43035256
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 43017141
1-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(4-ethoxyphenyl)thiourea
CID 8656372
1-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(4-propan-2-ylphenyl)thiourea
CID 8681969

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(4-methoxyphenyl)carbamoylamino]propanamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(4-methoxyphenyl)carbamoylamino]propanamide (CID 43072622) is N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(4-methoxyphenyl)carbamoylamino]propanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(4-methoxyphenyl)carbamoylamino]propanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(4-methoxyphenyl)carbamoylamino]propanamide is CCc1ccc(C(CNC(=O)CCNC(=O)Nc2ccc(OC)cc2)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(4-methoxyphenyl)carbamoylamino]propanamide?
The InChIKey is YXECWPGSCCUWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-5-17-6-8-18(9-7-17)21(27(2)3)16-25-22(28)14-15-24-23(29)26-19-10-12-20(30-4)13-11-19/h6-13,21H,5,14-16H2,1-4H3,(H,25,28)(H2,24,26,29).
What are the key properties of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(4-methoxyphenyl)carbamoylamino]propanamide?
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(4-methoxyphenyl)carbamoylamino]propanamide has a molecular weight of 412.53 g/mol, XLogP of 3.19, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(4-methoxyphenyl)carbamoylamino]propanamide is sourced from PubChem (CID 43072622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).