3-[(3-chloro-2-morpholin-4-ylphenyl)carbamoylamino]-3-(oxan-4-yl)propanamide

C19H27ClN4O4 — CID 71854896

IUPAC3-[(3-chloro-2-morpholin-4-ylphenyl)carbamoylamino]-3-(oxan-4-yl)propanamide
SMILESNC(=O)CC(NC(=O)Nc1cccc(Cl)c1N1CCOCC1)C1CCOCC1
InChIInChI=1S/C19H27ClN4O4/c20-14-2-1-3-15(18(14)24-6-10-28-11-7-24)22-19(26)23-16(12-17(21)25)13-4-8-27-9-5-13/h1-3,13,16H,4-12H2,(H2,21,25)(H2,22,23,26)
InChIKeyHWVZCSGJLNVOFC-UHFFFAOYSA-N
MW410.90 g/mol
LogP1.97
Rot. Bonds6

About 3-[(3-chloro-2-morpholin-4-ylphenyl)carbamoylamino]-3-(oxan-4-yl)propanamide

3-[(3-chloro-2-morpholin-4-ylphenyl)carbamoylamino]-3-(oxan-4-yl)propanamide (PubChem CID 71854896) has the molecular formula C19H27ClN4O4 and a molecular weight of 410.90 g/mol. Its IUPAC name is 3-[(3-chloro-2-morpholin-4-ylphenyl)carbamoylamino]-3-(oxan-4-yl)propanamide.

Molecular Properties

Compound Name3-[(3-chloro-2-morpholin-4-ylphenyl)carbamoylamino]-3-(oxan-4-yl)propanamide
PubChem CID71854896
Molecular FormulaC19H27ClN4O4
Molecular Weight410.90 g/mol
Exact Mass410.17
IUPAC Name3-[(3-chloro-2-morpholin-4-ylphenyl)carbamoylamino]-3-(oxan-4-yl)propanamide
SMILESNC(=O)CC(NC(=O)Nc1cccc(Cl)c1N1CCOCC1)C1CCOCC1
InChIInChI=1S/C19H27ClN4O4/c20-14-2-1-3-15(18(14)24-6-10-28-11-7-24)22-19(26)23-16(12-17(21)25)13-4-8-27-9-5-13/h1-3,13,16H,4-12H2,(H2,21,25)(H2,22,23,26)
InChIKeyHWVZCSGJLNVOFC-UHFFFAOYSA-N
XLogP1.97
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.90
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-2-morpholin-4-ylphenyl)-2-methyl-3-(methylamino)propanamide
CID 119840536
N-(3-chloro-2-morpholin-4-ylphenyl)-2-hydroxy-2-phenylacetamide
CID 111432211
4-amino-N-(3-chloro-2-morpholin-4-ylphenyl)-3-methoxybutanamide;dihydrochloride
CID 120595047
(1S)-N-(3-chloro-2-morpholin-4-ylphenyl)cyclohex-3-ene-1-carboxamide
CID 25347228
7-amino-N-(3-chloro-2-morpholin-4-ylphenyl)heptanamide;dihydrochloride
CID 119840505
(2S)-N-(3-chloro-2-morpholin-4-ylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 38938290
3,4-dichloro-N-(3-chloro-2-morpholin-4-ylphenyl)benzamide
CID 3478748
N-(3-chloro-2-morpholin-4-ylphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 41270501
N-(3-chloro-2-morpholin-4-ylphenyl)-2-fluorobenzamide
CID 952438
2-chloro-N-(3-chloro-2-morpholin-4-ylphenyl)-5-iodobenzamide
CID 3968174
N-(3-chloro-2-morpholin-4-ylphenyl)-2-thiophen-3-ylacetamide
CID 18141754
N-(3-chloro-2-morpholin-4-ylphenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 30461617

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-2-morpholin-4-ylphenyl)carbamoylamino]-3-(oxan-4-yl)propanamide?
The IUPAC name of 3-[(3-chloro-2-morpholin-4-ylphenyl)carbamoylamino]-3-(oxan-4-yl)propanamide (CID 71854896) is 3-[(3-chloro-2-morpholin-4-ylphenyl)carbamoylamino]-3-(oxan-4-yl)propanamide.
What is the SMILES notation for 3-[(3-chloro-2-morpholin-4-ylphenyl)carbamoylamino]-3-(oxan-4-yl)propanamide?
The canonical SMILES for 3-[(3-chloro-2-morpholin-4-ylphenyl)carbamoylamino]-3-(oxan-4-yl)propanamide is NC(=O)CC(NC(=O)Nc1cccc(Cl)c1N1CCOCC1)C1CCOCC1.
What is the InChIKey of 3-[(3-chloro-2-morpholin-4-ylphenyl)carbamoylamino]-3-(oxan-4-yl)propanamide?
The InChIKey is HWVZCSGJLNVOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN4O4/c20-14-2-1-3-15(18(14)24-6-10-28-11-7-24)22-19(26)23-16(12-17(21)25)13-4-8-27-9-5-13/h1-3,13,16H,4-12H2,(H2,21,25)(H2,22,23,26).
What are the key properties of 3-[(3-chloro-2-morpholin-4-ylphenyl)carbamoylamino]-3-(oxan-4-yl)propanamide?
3-[(3-chloro-2-morpholin-4-ylphenyl)carbamoylamino]-3-(oxan-4-yl)propanamide has a molecular weight of 410.90 g/mol, XLogP of 1.97, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-2-morpholin-4-ylphenyl)carbamoylamino]-3-(oxan-4-yl)propanamide is sourced from PubChem (CID 71854896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).