N-[4-oxo-4-[(2S)-2-propylmorpholin-4-yl]butyl]benzamide

C18H26N2O3 — CID 97064108

IUPACN-[4-oxo-4-[(2S)-2-propylmorpholin-4-yl]butyl]benzamide
SMILESCCC[C@H]1CN(C(=O)CCCNC(=O)c2ccccc2)CCO1
InChIInChI=1S/C18H26N2O3/c1-2-7-16-14-20(12-13-23-16)17(21)10-6-11-19-18(22)15-8-4-3-5-9-15/h3-5,8-9,16H,2,6-7,10-14H2,1H3,(H,19,22)/t16-/m0/s1
InChIKeyWSBCPGCENDKJFB-INIZCTEOSA-N
MW318.42 g/mol
LogP2.22
Rot. Bonds7

About N-[4-oxo-4-[(2S)-2-propylmorpholin-4-yl]butyl]benzamide

N-[4-oxo-4-[(2S)-2-propylmorpholin-4-yl]butyl]benzamide (PubChem CID 97064108) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[4-oxo-4-[(2S)-2-propylmorpholin-4-yl]butyl]benzamide.

Molecular Properties

Compound NameN-[4-oxo-4-[(2S)-2-propylmorpholin-4-yl]butyl]benzamide
PubChem CID97064108
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[4-oxo-4-[(2S)-2-propylmorpholin-4-yl]butyl]benzamide
SMILESCCC[C@H]1CN(C(=O)CCCNC(=O)c2ccccc2)CCO1
InChIInChI=1S/C18H26N2O3/c1-2-7-16-14-20(12-13-23-16)17(21)10-6-11-19-18(22)15-8-4-3-5-9-15/h3-5,8-9,16H,2,6-7,10-14H2,1H3,(H,19,22)/t16-/m0/s1
InChIKeyWSBCPGCENDKJFB-INIZCTEOSA-N
XLogP2.22
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-methylmorpholin-4-yl)-4-oxobutyl]benzamide
CID 51296252
N-[4-[(3R)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]benzamide
CID 111561014
N-[4-[3-(methylaminomethyl)piperidin-1-yl]-4-oxobutyl]benzamide;hydrochloride
CID 119398775
N-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 31414440
N-[2-[2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]benzamide
CID 81209103
N-[4-[3-(aminomethyl)pyrrolidin-1-yl]-4-oxobutyl]benzamide;hydrochloride
CID 119487124
2-[4-[3-(naphthalene-2-carbonylamino)propanoyl]morpholin-2-yl]acetic acid
CID 119247581
N-[4-(4-benzamidopiperidin-1-yl)-4-oxobutyl]benzamide
CID 34423868
2-methyl-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]propanamide
CID 16894893
4-[4-(thiophene-3-carbonylamino)butanoyl]morpholine-2-carboxylic acid
CID 119240043
N-(2-benzamidoethyl)-1-pentanoylpiperidine-4-carboxamide
CID 46103996
methyl 4-oxo-4-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]butanoate
CID 25379116

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-4-[(2S)-2-propylmorpholin-4-yl]butyl]benzamide?
The IUPAC name of N-[4-oxo-4-[(2S)-2-propylmorpholin-4-yl]butyl]benzamide (CID 97064108) is N-[4-oxo-4-[(2S)-2-propylmorpholin-4-yl]butyl]benzamide.
What is the SMILES notation for N-[4-oxo-4-[(2S)-2-propylmorpholin-4-yl]butyl]benzamide?
The canonical SMILES for N-[4-oxo-4-[(2S)-2-propylmorpholin-4-yl]butyl]benzamide is CCC[C@H]1CN(C(=O)CCCNC(=O)c2ccccc2)CCO1.
What is the InChIKey of N-[4-oxo-4-[(2S)-2-propylmorpholin-4-yl]butyl]benzamide?
The InChIKey is WSBCPGCENDKJFB-INIZCTEOSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-2-7-16-14-20(12-13-23-16)17(21)10-6-11-19-18(22)15-8-4-3-5-9-15/h3-5,8-9,16H,2,6-7,10-14H2,1H3,(H,19,22)/t16-/m0/s1.
What are the key properties of N-[4-oxo-4-[(2S)-2-propylmorpholin-4-yl]butyl]benzamide?
N-[4-oxo-4-[(2S)-2-propylmorpholin-4-yl]butyl]benzamide has a molecular weight of 318.42 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-4-[(2S)-2-propylmorpholin-4-yl]butyl]benzamide is sourced from PubChem (CID 97064108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).