N-(1-aminopropan-2-yl)-3-(carbamoylamino)-N-methyl-3-(3-phenoxyphenyl)propanamide;hydrochloride

C20H27ClN4O3 — CID 119582328

IUPACN-(1-aminopropan-2-yl)-3-(carbamoylamino)-N-methyl-3-(3-phenoxyphenyl)propanamide;hydrochloride
SMILESCC(CN)N(C)C(=O)CC(NC(N)=O)c1cccc(Oc2ccccc2)c1.Cl
InChIInChI=1S/C20H26N4O3.ClH/c1-14(13-21)24(2)19(25)12-18(23-20(22)26)15-7-6-10-17(11-15)27-16-8-4-3-5-9-16;/h3-11,14,18H,12-13,21H2,1-2H3,(H3,22,23,26);1H
InChIKeyAVJGXGVOGMRJRL-UHFFFAOYSA-N
MW406.91 g/mol
LogP2.81
Rot. Bonds8

About N-(1-aminopropan-2-yl)-3-(carbamoylamino)-N-methyl-3-(3-phenoxyphenyl)propanamide;hydrochloride

N-(1-aminopropan-2-yl)-3-(carbamoylamino)-N-methyl-3-(3-phenoxyphenyl)propanamide;hydrochloride (PubChem CID 119582328) has the molecular formula C20H27ClN4O3 and a molecular weight of 406.91 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-3-(carbamoylamino)-N-methyl-3-(3-phenoxyphenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-3-(carbamoylamino)-N-methyl-3-(3-phenoxyphenyl)propanamide;hydrochloride
PubChem CID119582328
Molecular FormulaC20H27ClN4O3
Molecular Weight406.91 g/mol
Exact Mass406.18
IUPAC NameN-(1-aminopropan-2-yl)-3-(carbamoylamino)-N-methyl-3-(3-phenoxyphenyl)propanamide;hydrochloride
SMILESCC(CN)N(C)C(=O)CC(NC(N)=O)c1cccc(Oc2ccccc2)c1.Cl
InChIInChI=1S/C20H26N4O3.ClH/c1-14(13-21)24(2)19(25)12-18(23-20(22)26)15-7-6-10-17(11-15)27-16-8-4-3-5-9-16;/h3-11,14,18H,12-13,21H2,1-2H3,(H3,22,23,26);1H
InChIKeyAVJGXGVOGMRJRL-UHFFFAOYSA-N
XLogP2.81
TPSA110.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.91
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide;hydrochloride
CID 119522332
N-(3-aminobutyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide
CID 119496074
N-[3-(aminomethyl)pentan-3-yl]-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide
CID 119569555
3-(carbamoylamino)-N-methyl-3-(3-phenoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119551193
(2-amino-2-oxoethyl) (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate
CID 8008898
N-(2-amino-2-ethylbutyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide
CID 119640789
(3R)-3-(carbamoylamino)-N-(4-ethylphenyl)-3-(3-phenoxyphenyl)propanamide
CID 9213620
(3R)-3-(carbamoylamino)-N-methyl-3-phenyl-N-[(1R)-1-phenylethyl]propanamide
CID 41327189
3-(carbamoylamino)-N-[3-(methylamino)propyl]-3-(3-phenoxyphenyl)propanamide
CID 119430711
phenacyl (3R)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoate
CID 8610074
(3S)-3-(carbamoylamino)-N-cyclopentyl-3-(3-phenoxyphenyl)propanamide
CID 9215141
(3R)-3-(carbamoylamino)-N-(3-chlorophenyl)-3-(3-phenoxyphenyl)propanamide
CID 9412253

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-3-(carbamoylamino)-N-methyl-3-(3-phenoxyphenyl)propanamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-3-(carbamoylamino)-N-methyl-3-(3-phenoxyphenyl)propanamide;hydrochloride (CID 119582328) is N-(1-aminopropan-2-yl)-3-(carbamoylamino)-N-methyl-3-(3-phenoxyphenyl)propanamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-3-(carbamoylamino)-N-methyl-3-(3-phenoxyphenyl)propanamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-3-(carbamoylamino)-N-methyl-3-(3-phenoxyphenyl)propanamide;hydrochloride is CC(CN)N(C)C(=O)CC(NC(N)=O)c1cccc(Oc2ccccc2)c1.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-3-(carbamoylamino)-N-methyl-3-(3-phenoxyphenyl)propanamide;hydrochloride?
The InChIKey is AVJGXGVOGMRJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3.ClH/c1-14(13-21)24(2)19(25)12-18(23-20(22)26)15-7-6-10-17(11-15)27-16-8-4-3-5-9-16;/h3-11,14,18H,12-13,21H2,1-2H3,(H3,22,23,26);1H.
What are the key properties of N-(1-aminopropan-2-yl)-3-(carbamoylamino)-N-methyl-3-(3-phenoxyphenyl)propanamide;hydrochloride?
N-(1-aminopropan-2-yl)-3-(carbamoylamino)-N-methyl-3-(3-phenoxyphenyl)propanamide;hydrochloride has a molecular weight of 406.91 g/mol, XLogP of 2.81, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-3-(carbamoylamino)-N-methyl-3-(3-phenoxyphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119582328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).