N-cycloheptyl-3-(2-morpholin-4-ylanilino)propanamide

C20H31N3O2 — CID 109031514

IUPACN-cycloheptyl-3-(2-morpholin-4-ylanilino)propanamide
SMILESO=C(CCNc1ccccc1N1CCOCC1)NC1CCCCCC1
InChIInChI=1S/C20H31N3O2/c24-20(22-17-7-3-1-2-4-8-17)11-12-21-18-9-5-6-10-19(18)23-13-15-25-16-14-23/h5-6,9-10,17,21H,1-4,7-8,11-16H2,(H,22,24)
InChIKeyAYWMZWXRHFLGDF-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.16
Rot. Bonds6

About N-cycloheptyl-3-(2-morpholin-4-ylanilino)propanamide

N-cycloheptyl-3-(2-morpholin-4-ylanilino)propanamide (PubChem CID 109031514) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-cycloheptyl-3-(2-morpholin-4-ylanilino)propanamide.

Molecular Properties

Compound NameN-cycloheptyl-3-(2-morpholin-4-ylanilino)propanamide
PubChem CID109031514
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC NameN-cycloheptyl-3-(2-morpholin-4-ylanilino)propanamide
SMILESO=C(CCNc1ccccc1N1CCOCC1)NC1CCCCCC1
InChIInChI=1S/C20H31N3O2/c24-20(22-17-7-3-1-2-4-8-17)11-12-21-18-9-5-6-10-19(18)23-13-15-25-16-14-23/h5-6,9-10,17,21H,1-4,7-8,11-16H2,(H,22,24)
InChIKeyAYWMZWXRHFLGDF-UHFFFAOYSA-N
XLogP3.16
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-morpholin-4-ylaniline
CID 43717230
3-(N-acetyl-2-morpholin-4-ylanilino)-N-cyclohexylpropanamide
CID 113132158
N-(2-ethylphenyl)-3-(2-morpholin-4-ylanilino)propanamide
CID 109036145
N-(2-methoxyethyl)-3-(2-morpholin-4-ylanilino)propanamide
CID 109015107
3-(2-morpholin-4-ylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023269
N-cyclohexyl-3-(2-ethylanilino)propanamide
CID 109014016
2-[2-(azepan-1-yl)anilino]-N-cyclopropylacetamide
CID 25349530
N-(1,1-dioxothiolan-3-yl)-2-(2-morpholin-4-ylanilino)acetamide
CID 109001792
1-(2-cyclohexylethyl)-3-(2-morpholin-4-ylphenyl)urea
CID 108888594
3-(2-tert-butylanilino)-N-(2-morpholin-4-ylphenyl)propanamide
CID 109037337
N-cycloheptyl-3-(2-propan-2-ylanilino)propanamide
CID 109031466
N-cyclohexyl-3-(2-propan-2-ylanilino)propanamide
CID 109014020

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-(2-morpholin-4-ylanilino)propanamide?
The IUPAC name of N-cycloheptyl-3-(2-morpholin-4-ylanilino)propanamide (CID 109031514) is N-cycloheptyl-3-(2-morpholin-4-ylanilino)propanamide.
What is the SMILES notation for N-cycloheptyl-3-(2-morpholin-4-ylanilino)propanamide?
The canonical SMILES for N-cycloheptyl-3-(2-morpholin-4-ylanilino)propanamide is O=C(CCNc1ccccc1N1CCOCC1)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-3-(2-morpholin-4-ylanilino)propanamide?
The InChIKey is AYWMZWXRHFLGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c24-20(22-17-7-3-1-2-4-8-17)11-12-21-18-9-5-6-10-19(18)23-13-15-25-16-14-23/h5-6,9-10,17,21H,1-4,7-8,11-16H2,(H,22,24).
What are the key properties of N-cycloheptyl-3-(2-morpholin-4-ylanilino)propanamide?
N-cycloheptyl-3-(2-morpholin-4-ylanilino)propanamide has a molecular weight of 345.49 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-(2-morpholin-4-ylanilino)propanamide is sourced from PubChem (CID 109031514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).