N-[2-[hexyl(2-morpholin-4-ylethyl)amino]-2-oxoethyl]-2-phenylacetamide

C22H35N3O3 — CID 47074677

IUPACN-[2-[hexyl(2-morpholin-4-ylethyl)amino]-2-oxoethyl]-2-phenylacetamide
SMILESCCCCCCN(CCN1CCOCC1)C(=O)CNC(=O)Cc1ccccc1
InChIInChI=1S/C22H35N3O3/c1-2-3-4-8-11-25(13-12-24-14-16-28-17-15-24)22(27)19-23-21(26)18-20-9-6-5-7-10-20/h5-7,9-10H,2-4,8,11-19H2,1H3,(H,23,26)
InChIKeyCTJXRTDTMORENP-UHFFFAOYSA-N
MW389.54 g/mol
LogP2.09
Rot. Bonds12

About N-[2-[hexyl(2-morpholin-4-ylethyl)amino]-2-oxoethyl]-2-phenylacetamide

N-[2-[hexyl(2-morpholin-4-ylethyl)amino]-2-oxoethyl]-2-phenylacetamide (PubChem CID 47074677) has the molecular formula C22H35N3O3 and a molecular weight of 389.54 g/mol. Its IUPAC name is N-[2-[hexyl(2-morpholin-4-ylethyl)amino]-2-oxoethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[hexyl(2-morpholin-4-ylethyl)amino]-2-oxoethyl]-2-phenylacetamide
PubChem CID47074677
Molecular FormulaC22H35N3O3
Molecular Weight389.54 g/mol
Exact Mass389.27
IUPAC NameN-[2-[hexyl(2-morpholin-4-ylethyl)amino]-2-oxoethyl]-2-phenylacetamide
SMILESCCCCCCN(CCN1CCOCC1)C(=O)CNC(=O)Cc1ccccc1
InChIInChI=1S/C22H35N3O3/c1-2-3-4-8-11-25(13-12-24-14-16-28-17-15-24)22(27)19-23-21(26)18-20-9-6-5-7-10-20/h5-7,9-10H,2-4,8,11-19H2,1H3,(H,23,26)
InChIKeyCTJXRTDTMORENP-UHFFFAOYSA-N
XLogP2.09
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-hexyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 47798791
N-hexyl-N-(2-morpholin-4-ylethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 47940660
N-(2-morpholin-4-ylethyl)-N-[(3-phenoxyphenyl)methyl]pentanamide
CID 42697864
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)octanamide
CID 3897940
N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)nonanamide
CID 3880529
N-(3-morpholin-4-ylpropyl)-N-[(3-phenoxyphenyl)methyl]butanamide
CID 42701309
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)nonanamide
CID 3490337
benzyl N-heptyl-N-[2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]carbamate
CID 70962858
N-methyl-2-(4-morpholin-4-ylbutoxymethyl)-N-octadecylbenzamide
CID 23299397
2-chloro-N-hexyl-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 47837922
N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)hexanamide
CID 42701783
N,N-dihexyl-3-phenylpropanamide
CID 532921

Frequently Asked Questions

What is the IUPAC name of N-[2-[hexyl(2-morpholin-4-ylethyl)amino]-2-oxoethyl]-2-phenylacetamide?
The IUPAC name of N-[2-[hexyl(2-morpholin-4-ylethyl)amino]-2-oxoethyl]-2-phenylacetamide (CID 47074677) is N-[2-[hexyl(2-morpholin-4-ylethyl)amino]-2-oxoethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[hexyl(2-morpholin-4-ylethyl)amino]-2-oxoethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-[hexyl(2-morpholin-4-ylethyl)amino]-2-oxoethyl]-2-phenylacetamide is CCCCCCN(CCN1CCOCC1)C(=O)CNC(=O)Cc1ccccc1.
What is the InChIKey of N-[2-[hexyl(2-morpholin-4-ylethyl)amino]-2-oxoethyl]-2-phenylacetamide?
The InChIKey is CTJXRTDTMORENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O3/c1-2-3-4-8-11-25(13-12-24-14-16-28-17-15-24)22(27)19-23-21(26)18-20-9-6-5-7-10-20/h5-7,9-10H,2-4,8,11-19H2,1H3,(H,23,26).
What are the key properties of N-[2-[hexyl(2-morpholin-4-ylethyl)amino]-2-oxoethyl]-2-phenylacetamide?
N-[2-[hexyl(2-morpholin-4-ylethyl)amino]-2-oxoethyl]-2-phenylacetamide has a molecular weight of 389.54 g/mol, XLogP of 2.09, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[hexyl(2-morpholin-4-ylethyl)amino]-2-oxoethyl]-2-phenylacetamide is sourced from PubChem (CID 47074677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).