N-(3-aminobutyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide

C20H26N4O3 — CID 119496074

IUPACN-(3-aminobutyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide
SMILESCC(N)CCNC(=O)CC(NC(N)=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H26N4O3/c1-14(21)10-11-23-19(25)13-18(24-20(22)26)15-6-5-9-17(12-15)27-16-7-3-2-4-8-16/h2-9,12,14,18H,10-11,13,21H2,1H3,(H,23,25)(H3,22,24,26)
InChIKeyZSFVEFHUBUTSTC-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.43
Rot. Bonds9

About N-(3-aminobutyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide

N-(3-aminobutyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide (PubChem CID 119496074) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-(3-aminobutyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide
PubChem CID119496074
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-(3-aminobutyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide
SMILESCC(N)CCNC(=O)CC(NC(N)=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H26N4O3/c1-14(21)10-11-23-19(25)13-18(24-20(22)26)15-6-5-9-17(12-15)27-16-7-3-2-4-8-16/h2-9,12,14,18H,10-11,13,21H2,1H3,(H,23,25)(H3,22,24,26)
InChIKeyZSFVEFHUBUTSTC-UHFFFAOYSA-N
XLogP2.43
TPSA119.47 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-(carbamoylamino)-N-[3-(methylamino)propyl]-3-(3-phenoxyphenyl)propanamide
CID 119430711
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
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
3-(carbamoylamino)-N-(3-indol-1-ylpropyl)-3-(3-phenoxyphenyl)propanamide
CID 167827511
N-(1-aminopropan-2-yl)-3-(carbamoylamino)-N-methyl-3-(3-phenoxyphenyl)propanamide;hydrochloride
CID 119582328
(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-aminobutyl)-3-phenylbutanamide
CID 119496736

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide?
The IUPAC name of N-(3-aminobutyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide (CID 119496074) is N-(3-aminobutyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide.
What is the SMILES notation for N-(3-aminobutyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide?
The canonical SMILES for N-(3-aminobutyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide is CC(N)CCNC(=O)CC(NC(N)=O)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of N-(3-aminobutyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide?
The InChIKey is ZSFVEFHUBUTSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-14(21)10-11-23-19(25)13-18(24-20(22)26)15-6-5-9-17(12-15)27-16-7-3-2-4-8-16/h2-9,12,14,18H,10-11,13,21H2,1H3,(H,23,25)(H3,22,24,26).
What are the key properties of N-(3-aminobutyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide?
N-(3-aminobutyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide has a molecular weight of 370.45 g/mol, XLogP of 2.43, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide is sourced from PubChem (CID 119496074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).