3-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(3-chloro-4-cyanophenyl)propanamide

C24H29ClN4O2 — CID 56570185

IUPAC3-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(3-chloro-4-cyanophenyl)propanamide
SMILESCC(CN1CCOCC1)N(CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1
InChIInChI=1S/C24H29ClN4O2/c1-19(17-28-11-13-31-14-12-28)29(18-20-5-3-2-4-6-20)10-9-24(30)27-22-8-7-21(16-26)23(25)15-22/h2-8,15,19H,9-14,17-18H2,1H3,(H,27,30)
InChIKeyCYXXBCZZNBEJAP-UHFFFAOYSA-N
MW440.98 g/mol
LogP3.76
Rot. Bonds9

About 3-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(3-chloro-4-cyanophenyl)propanamide

3-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(3-chloro-4-cyanophenyl)propanamide (PubChem CID 56570185) has the molecular formula C24H29ClN4O2 and a molecular weight of 440.98 g/mol. Its IUPAC name is 3-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(3-chloro-4-cyanophenyl)propanamide.

Molecular Properties

Compound Name3-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(3-chloro-4-cyanophenyl)propanamide
PubChem CID56570185
Molecular FormulaC24H29ClN4O2
Molecular Weight440.98 g/mol
Exact Mass440.20
IUPAC Name3-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(3-chloro-4-cyanophenyl)propanamide
SMILESCC(CN1CCOCC1)N(CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1
InChIInChI=1S/C24H29ClN4O2/c1-19(17-28-11-13-31-14-12-28)29(18-20-5-3-2-4-6-20)10-9-24(30)27-22-8-7-21(16-26)23(25)15-22/h2-8,15,19H,9-14,17-18H2,1H3,(H,27,30)
InChIKeyCYXXBCZZNBEJAP-UHFFFAOYSA-N
XLogP3.76
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.98
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(2-methyl-4-nitrophenyl)propanamide
CID 56542624
2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 56570018
2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(4-methyl-3-nitrophenyl)acetamide
CID 56542755
2-[benzyl(2-hydroxyethyl)amino]-N-(3-chloro-4-cyanophenyl)acetamide
CID 110881066
2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(1-phenylethyl)acetamide
CID 56542719
4-[2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]ethoxy]benzonitrile
CID 56542590
2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-methyl-N-(1-phenylethyl)acetamide
CID 56542974
N-(3-chloro-4-cyanophenyl)-2-[methyl(1-phenylethyl)amino]acetamide
CID 18191756
3-[benzyl(methyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 109020626
2-[benzyl(propyl)amino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 29233711
2-(butan-2-ylamino)-N-(3-chloro-4-cyanophenyl)acetamide
CID 54918086
N-benzyl-3-chloro-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 56501396

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(3-chloro-4-cyanophenyl)propanamide?
The IUPAC name of 3-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(3-chloro-4-cyanophenyl)propanamide (CID 56570185) is 3-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(3-chloro-4-cyanophenyl)propanamide.
What is the SMILES notation for 3-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(3-chloro-4-cyanophenyl)propanamide?
The canonical SMILES for 3-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(3-chloro-4-cyanophenyl)propanamide is CC(CN1CCOCC1)N(CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(3-chloro-4-cyanophenyl)propanamide?
The InChIKey is CYXXBCZZNBEJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O2/c1-19(17-28-11-13-31-14-12-28)29(18-20-5-3-2-4-6-20)10-9-24(30)27-22-8-7-21(16-26)23(25)15-22/h2-8,15,19H,9-14,17-18H2,1H3,(H,27,30).
What are the key properties of 3-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(3-chloro-4-cyanophenyl)propanamide?
3-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(3-chloro-4-cyanophenyl)propanamide has a molecular weight of 440.98 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(3-chloro-4-cyanophenyl)propanamide is sourced from PubChem (CID 56570185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).