3-[(4-methoxyphenyl)carbamoylamino]-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide

C22H29N3O3 — CID 46571064

IUPAC3-[(4-methoxyphenyl)carbamoylamino]-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide
SMILESCOc1ccc(NC(=O)NCCC(=O)NC(C)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C22H29N3O3/c1-15(2)17-5-7-18(8-6-17)16(3)24-21(26)13-14-23-22(27)25-19-9-11-20(28-4)12-10-19/h5-12,15-16H,13-14H2,1-4H3,(H,24,26)(H2,23,25,27)
InChIKeyNZNJRUISPMMMLS-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.21
Rot. Bonds8

About 3-[(4-methoxyphenyl)carbamoylamino]-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide

3-[(4-methoxyphenyl)carbamoylamino]-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide (PubChem CID 46571064) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)carbamoylamino]-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)carbamoylamino]-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide
PubChem CID46571064
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name3-[(4-methoxyphenyl)carbamoylamino]-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide
SMILESCOc1ccc(NC(=O)NCCC(=O)NC(C)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C22H29N3O3/c1-15(2)17-5-7-18(8-6-17)16(3)24-21(26)13-14-23-22(27)25-19-9-11-20(28-4)12-10-19/h5-12,15-16H,13-14H2,1-4H3,(H,24,26)(H2,23,25,27)
InChIKeyNZNJRUISPMMMLS-UHFFFAOYSA-N
XLogP4.21
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-3-[2-(4-propan-2-ylphenoxy)ethyl]urea
CID 112972614
1-[2-(4-methoxyphenoxy)ethyl]-3-(4-propan-2-ylphenyl)urea
CID 108990560
N-[1-(4-methoxyphenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 66195262
3-[(4-bromophenyl)carbamoylamino]-N-[(4-methoxyphenyl)-phenylmethyl]propanamide
CID 55773754
3-(4-methoxyphenyl)sulfanyl-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]propanamide
CID 55729504
2-(4-acetamidophenyl)-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 108792620
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 81364091
1-(4-methoxyphenyl)-3-(3-methylbutyl)urea
CID 18884814
4-methoxy-N-[2-oxo-2-[1-[4-(phenylcarbamoylamino)phenyl]ethylamino]ethyl]benzamide
CID 55840868
N-[1-(1-adamantyl)ethyl]-3-[(4-methoxyphenyl)carbamoylamino]propanamide
CID 17454177
1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 28958845
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(4-methoxyphenyl)carbamoylamino]propanamide
CID 43072622

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)carbamoylamino]-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide?
The IUPAC name of 3-[(4-methoxyphenyl)carbamoylamino]-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide (CID 46571064) is 3-[(4-methoxyphenyl)carbamoylamino]-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-[(4-methoxyphenyl)carbamoylamino]-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide?
The canonical SMILES for 3-[(4-methoxyphenyl)carbamoylamino]-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide is COc1ccc(NC(=O)NCCC(=O)NC(C)c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)carbamoylamino]-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide?
The InChIKey is NZNJRUISPMMMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-15(2)17-5-7-18(8-6-17)16(3)24-21(26)13-14-23-22(27)25-19-9-11-20(28-4)12-10-19/h5-12,15-16H,13-14H2,1-4H3,(H,24,26)(H2,23,25,27).
What are the key properties of 3-[(4-methoxyphenyl)carbamoylamino]-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide?
3-[(4-methoxyphenyl)carbamoylamino]-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide has a molecular weight of 383.49 g/mol, XLogP of 4.21, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)carbamoylamino]-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide is sourced from PubChem (CID 46571064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).