(2S)-2-[[benzoyl(2-methylpropyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide

C20H29N3O3 — CID 93327899

IUPAC(2S)-2-[[benzoyl(2-methylpropyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide
SMILESC=CCNC(=O)N1CCO[C@@H](CN(CC(C)C)C(=O)c2ccccc2)C1
InChIInChI=1S/C20H29N3O3/c1-4-10-21-20(25)22-11-12-26-18(14-22)15-23(13-16(2)3)19(24)17-8-6-5-7-9-17/h4-9,16,18H,1,10-15H2,2-3H3,(H,21,25)/t18-/m1/s1
InChIKeyFUIKHEZFEYSJMJ-GOSISDBHSA-N
MW359.47 g/mol
LogP2.38
Rot. Bonds7

About (2S)-2-[[benzoyl(2-methylpropyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide

(2S)-2-[[benzoyl(2-methylpropyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide (PubChem CID 93327899) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is (2S)-2-[[benzoyl(2-methylpropyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-2-[[benzoyl(2-methylpropyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide
PubChem CID93327899
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name(2S)-2-[[benzoyl(2-methylpropyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide
SMILESC=CCNC(=O)N1CCO[C@@H](CN(CC(C)C)C(=O)c2ccccc2)C1
InChIInChI=1S/C20H29N3O3/c1-4-10-21-20(25)22-11-12-26-18(14-22)15-23(13-16(2)3)19(24)17-8-6-5-7-9-17/h4-9,16,18H,1,10-15H2,2-3H3,(H,21,25)/t18-/m1/s1
InChIKeyFUIKHEZFEYSJMJ-GOSISDBHSA-N
XLogP2.38
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[(3-methoxybenzoyl)-(2-methylpropyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide
CID 93339140
4-methyl-N-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
CID 46059580
2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide
CID 46060541
4-fluoro-N-(2-methylpropyl)-N-[[(2S)-4-(2-phenoxyacetyl)morpholin-2-yl]methyl]benzamide
CID 93338082
4-fluoro-N-(2-methylpropyl)-N-[[4-(2-phenoxyacetyl)morpholin-2-yl]methyl]benzamide
CID 46059529
(2R)-2-[[(3-methoxybenzoyl)-(2-methylpropyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide
CID 93338501
N-[[4-(1,3-benzodioxole-5-carbonyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 46059631
N-[[(2R)-4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]-N-(3-methylbutyl)benzamide
CID 92988428
2-[[cyclopentyl(pyridine-3-carbonyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide
CID 42862667
N-[[4-(2-hydroxybutyl)morpholin-2-yl]methyl]-N-(3-methylbutyl)benzamide
CID 42859648
N-[[4-(2-hydroxy-2-phenylethyl)morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 42862249
N-[2-(dimethylamino)ethyl]-N-[[4-(2-methoxyacetyl)morpholin-2-yl]methyl]benzamide
CID 42861666

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[benzoyl(2-methylpropyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide?
The IUPAC name of (2S)-2-[[benzoyl(2-methylpropyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide (CID 93327899) is (2S)-2-[[benzoyl(2-methylpropyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide.
What is the SMILES notation for (2S)-2-[[benzoyl(2-methylpropyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide?
The canonical SMILES for (2S)-2-[[benzoyl(2-methylpropyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide is C=CCNC(=O)N1CCO[C@@H](CN(CC(C)C)C(=O)c2ccccc2)C1.
What is the InChIKey of (2S)-2-[[benzoyl(2-methylpropyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide?
The InChIKey is FUIKHEZFEYSJMJ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-4-10-21-20(25)22-11-12-26-18(14-22)15-23(13-16(2)3)19(24)17-8-6-5-7-9-17/h4-9,16,18H,1,10-15H2,2-3H3,(H,21,25)/t18-/m1/s1.
What are the key properties of (2S)-2-[[benzoyl(2-methylpropyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide?
(2S)-2-[[benzoyl(2-methylpropyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[benzoyl(2-methylpropyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide is sourced from PubChem (CID 93327899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).