N-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]pentanamide

C18H26N2O3 — CID 110353014

IUPACN-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]pentanamide
SMILESCCCCC(=O)Nc1cccc(C(=O)N2CCOCC2(C)C)c1
InChIInChI=1S/C18H26N2O3/c1-4-5-9-16(21)19-15-8-6-7-14(12-15)17(22)20-10-11-23-13-18(20,2)3/h6-8,12H,4-5,9-11,13H2,1-3H3,(H,19,21)
InChIKeyONIRBFYTRZOFGH-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.07
Rot. Bonds5

About N-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]pentanamide

N-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]pentanamide (PubChem CID 110353014) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]pentanamide.

Molecular Properties

Compound NameN-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]pentanamide
PubChem CID110353014
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]pentanamide
SMILESCCCCC(=O)Nc1cccc(C(=O)N2CCOCC2(C)C)c1
InChIInChI=1S/C18H26N2O3/c1-4-5-9-16(21)19-15-8-6-7-14(12-15)17(22)20-10-11-23-13-18(20,2)3/h6-8,12H,4-5,9-11,13H2,1-3H3,(H,19,21)
InChIKeyONIRBFYTRZOFGH-UHFFFAOYSA-N
XLogP3.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3-propan-2-ylurea
CID 51095578
N-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2-fluorobenzamide
CID 110353024
N-[3-[[2-[3-(morpholine-4-carbonyl)anilino]acetyl]amino]phenyl]hexanamide
CID 54836346
N-[3-(piperidine-1-carbonyl)phenyl]tetradecanamide
CID 54791960
1-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3-phenylurea
CID 110352798
3-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]prop-2-enoic acid
CID 76906957
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]octanamide
CID 43886892
N-[4-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54836996
3-(heptanoylamino)benzamide
CID 54789184
N-[3-[[2-[3-(azepane-1-carbonyl)anilino]acetyl]amino]phenyl]hexanamide
CID 54841375
3-[[2-[(3S)-3-ethyl-3-methylmorpholin-4-yl]acetyl]amino]-N,N-dimethylbenzamide
CID 124846408
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]morpholine-4-carboxamide
CID 110352817

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]pentanamide?
The IUPAC name of N-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]pentanamide (CID 110353014) is N-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]pentanamide.
What is the SMILES notation for N-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]pentanamide?
The canonical SMILES for N-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]pentanamide is CCCCC(=O)Nc1cccc(C(=O)N2CCOCC2(C)C)c1.
What is the InChIKey of N-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]pentanamide?
The InChIKey is ONIRBFYTRZOFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-4-5-9-16(21)19-15-8-6-7-14(12-15)17(22)20-10-11-23-13-18(20,2)3/h6-8,12H,4-5,9-11,13H2,1-3H3,(H,19,21).
What are the key properties of N-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]pentanamide?
N-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]pentanamide has a molecular weight of 318.42 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]pentanamide is sourced from PubChem (CID 110353014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).