3-(carbamoylamino)-N-[3-(methylamino)propyl]-3-(3-phenoxyphenyl)propanamide

C20H26N4O3 — CID 119430711

IUPAC3-(carbamoylamino)-N-[3-(methylamino)propyl]-3-(3-phenoxyphenyl)propanamide
SMILESCNCCCNC(=O)CC(NC(N)=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H26N4O3/c1-22-11-6-12-23-19(25)14-18(24-20(21)26)15-7-5-10-17(13-15)27-16-8-3-2-4-9-16/h2-5,7-10,13,18,22H,6,11-12,14H2,1H3,(H,23,25)(H3,21,24,26)
InChIKeyPAVWVCAOTCVBSH-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.30
Rot. Bonds10

About 3-(carbamoylamino)-N-[3-(methylamino)propyl]-3-(3-phenoxyphenyl)propanamide

3-(carbamoylamino)-N-[3-(methylamino)propyl]-3-(3-phenoxyphenyl)propanamide (PubChem CID 119430711) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-[3-(methylamino)propyl]-3-(3-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-[3-(methylamino)propyl]-3-(3-phenoxyphenyl)propanamide
PubChem CID119430711
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name3-(carbamoylamino)-N-[3-(methylamino)propyl]-3-(3-phenoxyphenyl)propanamide
SMILESCNCCCNC(=O)CC(NC(N)=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H26N4O3/c1-22-11-6-12-23-19(25)14-18(24-20(21)26)15-7-5-10-17(13-15)27-16-8-3-2-4-9-16/h2-5,7-10,13,18,22H,6,11-12,14H2,1H3,(H,23,25)(H3,21,24,26)
InChIKeyPAVWVCAOTCVBSH-UHFFFAOYSA-N
XLogP2.30
TPSA105.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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-(3-indol-1-ylpropyl)-3-(3-phenoxyphenyl)propanamide
CID 167827511
3-(carbamoylamino)-N-[(2-fluorophenyl)methyl]-3-(3-phenoxyphenyl)propanamide
CID 42908374
N-(1-amino-2-methylpropan-2-yl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide;hydrochloride
CID 119522332
(2-amino-2-oxoethyl) (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate
CID 8008898
(3R)-3-(carbamoylamino)-N-(4-ethylphenyl)-3-(3-phenoxyphenyl)propanamide
CID 9213620
N-[3-(aminomethyl)pentan-3-yl]-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide
CID 119569555
3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 4850353
(3S)-3-(carbamoylamino)-N-cyclopentyl-3-(3-phenoxyphenyl)propanamide
CID 9215141
N-[3-[3-(methylamino)propylamino]-3-oxo-1-phenylpropyl]benzamide
CID 119431387
(3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)-N-piperidin-1-ylpropanamide
CID 9271549

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-[3-(methylamino)propyl]-3-(3-phenoxyphenyl)propanamide?
The IUPAC name of 3-(carbamoylamino)-N-[3-(methylamino)propyl]-3-(3-phenoxyphenyl)propanamide (CID 119430711) is 3-(carbamoylamino)-N-[3-(methylamino)propyl]-3-(3-phenoxyphenyl)propanamide.
What is the SMILES notation for 3-(carbamoylamino)-N-[3-(methylamino)propyl]-3-(3-phenoxyphenyl)propanamide?
The canonical SMILES for 3-(carbamoylamino)-N-[3-(methylamino)propyl]-3-(3-phenoxyphenyl)propanamide is CNCCCNC(=O)CC(NC(N)=O)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 3-(carbamoylamino)-N-[3-(methylamino)propyl]-3-(3-phenoxyphenyl)propanamide?
The InChIKey is PAVWVCAOTCVBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-22-11-6-12-23-19(25)14-18(24-20(21)26)15-7-5-10-17(13-15)27-16-8-3-2-4-9-16/h2-5,7-10,13,18,22H,6,11-12,14H2,1H3,(H,23,25)(H3,21,24,26).
What are the key properties of 3-(carbamoylamino)-N-[3-(methylamino)propyl]-3-(3-phenoxyphenyl)propanamide?
3-(carbamoylamino)-N-[3-(methylamino)propyl]-3-(3-phenoxyphenyl)propanamide has a molecular weight of 370.45 g/mol, XLogP of 2.30, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-[3-(methylamino)propyl]-3-(3-phenoxyphenyl)propanamide is sourced from PubChem (CID 119430711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).