3-(carbamoylamino)-N-(3-indol-1-ylpropyl)-3-(3-phenoxyphenyl)propanamide

C27H28N4O3 — CID 167827511

IUPAC3-(carbamoylamino)-N-(3-indol-1-ylpropyl)-3-(3-phenoxyphenyl)propanamide
SMILESNC(=O)NC(CC(=O)NCCCn1ccc2ccccc21)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C27H28N4O3/c28-27(33)30-24(21-9-6-12-23(18-21)34-22-10-2-1-3-11-22)19-26(32)29-15-7-16-31-17-14-20-8-4-5-13-25(20)31/h1-6,8-14,17-18,24H,7,15-16,19H2,(H,29,32)(H3,28,30,33)
InChIKeyDEHLOFILNAOEQT-UHFFFAOYSA-N
MW456.55 g/mol
LogP4.74
Rot. Bonds10

About 3-(carbamoylamino)-N-(3-indol-1-ylpropyl)-3-(3-phenoxyphenyl)propanamide

3-(carbamoylamino)-N-(3-indol-1-ylpropyl)-3-(3-phenoxyphenyl)propanamide (PubChem CID 167827511) has the molecular formula C27H28N4O3 and a molecular weight of 456.55 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-(3-indol-1-ylpropyl)-3-(3-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-(3-indol-1-ylpropyl)-3-(3-phenoxyphenyl)propanamide
PubChem CID167827511
Molecular FormulaC27H28N4O3
Molecular Weight456.55 g/mol
Exact Mass456.22
IUPAC Name3-(carbamoylamino)-N-(3-indol-1-ylpropyl)-3-(3-phenoxyphenyl)propanamide
SMILESNC(=O)NC(CC(=O)NCCCn1ccc2ccccc21)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C27H28N4O3/c28-27(33)30-24(21-9-6-12-23(18-21)34-22-10-2-1-3-11-22)19-26(32)29-15-7-16-31-17-14-20-8-4-5-13-25(20)31/h1-6,8-14,17-18,24H,7,15-16,19H2,(H,29,32)(H3,28,30,33)
InChIKeyDEHLOFILNAOEQT-UHFFFAOYSA-N
XLogP4.74
TPSA98.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(carbamoylamino)-N-[3-(methylamino)propyl]-3-(3-phenoxyphenyl)propanamide
CID 119430711
N-(3-aminobutyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide
CID 119496074
N-(2-amino-2-ethylbutyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide
CID 119640789
3-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-3-(3-phenoxyphenyl)propanamide
CID 42908374
3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 4850353
(3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-piperidin-1-ylpropanamide
CID 9271549
(2-amino-2-oxoethyl) (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate
CID 8008898
(3S)-3-(carbamoylamino)-N-cyclopentyl-3-(3-phenoxyphenyl)propanamide
CID 9215141
(3R)-3-(carbamoylamino)-N-(3-chlorophenyl)-3-(3-phenoxyphenyl)propanamide
CID 9412253
N-(1-amino-2-methylpropan-2-yl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide;hydrochloride
CID 119522332
4-(3-fluorophenoxy)-N-(3-indol-1-ylpropyl)butanamide
CID 52715106
(3R)-3-(carbamoylamino)-N-(4-ethylphenyl)-3-(3-phenoxyphenyl)propanamide
CID 9213620

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-(3-indol-1-ylpropyl)-3-(3-phenoxyphenyl)propanamide?
The IUPAC name of 3-(carbamoylamino)-N-(3-indol-1-ylpropyl)-3-(3-phenoxyphenyl)propanamide (CID 167827511) is 3-(carbamoylamino)-N-(3-indol-1-ylpropyl)-3-(3-phenoxyphenyl)propanamide.
What is the SMILES notation for 3-(carbamoylamino)-N-(3-indol-1-ylpropyl)-3-(3-phenoxyphenyl)propanamide?
The canonical SMILES for 3-(carbamoylamino)-N-(3-indol-1-ylpropyl)-3-(3-phenoxyphenyl)propanamide is NC(=O)NC(CC(=O)NCCCn1ccc2ccccc21)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 3-(carbamoylamino)-N-(3-indol-1-ylpropyl)-3-(3-phenoxyphenyl)propanamide?
The InChIKey is DEHLOFILNAOEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3/c28-27(33)30-24(21-9-6-12-23(18-21)34-22-10-2-1-3-11-22)19-26(32)29-15-7-16-31-17-14-20-8-4-5-13-25(20)31/h1-6,8-14,17-18,24H,7,15-16,19H2,(H,29,32)(H3,28,30,33).
What are the key properties of 3-(carbamoylamino)-N-(3-indol-1-ylpropyl)-3-(3-phenoxyphenyl)propanamide?
3-(carbamoylamino)-N-(3-indol-1-ylpropyl)-3-(3-phenoxyphenyl)propanamide has a molecular weight of 456.55 g/mol, XLogP of 4.74, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-(3-indol-1-ylpropyl)-3-(3-phenoxyphenyl)propanamide is sourced from PubChem (CID 167827511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).