N-[4-(2-methylpropanoylamino)phenyl]-3-(2-methylpropyl)morpholine-4-carboxamide

C19H29N3O3 — CID 56794682

IUPACN-[4-(2-methylpropanoylamino)phenyl]-3-(2-methylpropyl)morpholine-4-carboxamide
SMILESCC(C)CC1COCCN1C(=O)Nc1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C19H29N3O3/c1-13(2)11-17-12-25-10-9-22(17)19(24)21-16-7-5-15(6-8-16)20-18(23)14(3)4/h5-8,13-14,17H,9-12H2,1-4H3,(H,20,23)(H,21,24)
InChIKeySXYYOBLQECQZJJ-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.56
Rot. Bonds5

About N-[4-(2-methylpropanoylamino)phenyl]-3-(2-methylpropyl)morpholine-4-carboxamide

N-[4-(2-methylpropanoylamino)phenyl]-3-(2-methylpropyl)morpholine-4-carboxamide (PubChem CID 56794682) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[4-(2-methylpropanoylamino)phenyl]-3-(2-methylpropyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methylpropanoylamino)phenyl]-3-(2-methylpropyl)morpholine-4-carboxamide
PubChem CID56794682
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC NameN-[4-(2-methylpropanoylamino)phenyl]-3-(2-methylpropyl)morpholine-4-carboxamide
SMILESCC(C)CC1COCCN1C(=O)Nc1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C19H29N3O3/c1-13(2)11-17-12-25-10-9-22(17)19(24)21-16-7-5-15(6-8-16)20-18(23)14(3)4/h5-8,13-14,17H,9-12H2,1-4H3,(H,20,23)(H,21,24)
InChIKeySXYYOBLQECQZJJ-UHFFFAOYSA-N
XLogP3.56
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(2-methylpropyl)-N-phenylmorpholine-4-carboxamide
CID 95904890
(3S)-3-(2-methylpropyl)-N-(6-morpholin-4-yl-3-pyridinyl)morpholine-4-carboxamide
CID 95904886
3-(2-methylpropyl)-N-(2-methylsulfinylphenyl)morpholine-4-carboxamide
CID 71865558
N-(3-bromo-4-pyridinyl)-3-(2-methylpropyl)morpholine-4-carboxamide
CID 138042149
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-(2-methylpropyl)morpholine-4-carboxamide
CID 56794691
4-[(3S)-3-(2-methylpropyl)morpholine-4-carbonyl]benzoic acid
CID 124681978
3-(2-hydroxypropyl)-N-(1-propylindol-6-yl)morpholine-4-carboxamide
CID 75509204
N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methylpropyl)morpholine-4-carboxamide
CID 86949487
(3S)-N-(2-methoxydibenzofuran-3-yl)-3-(2-methylpropyl)morpholine-4-carboxamide
CID 96546401
(4-hydroxy-2-methylphenyl)-[(3S)-3-(2-methylpropyl)morpholin-4-yl]methanone
CID 99627905
(3R)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(2-methylpropyl)morpholine-4-carboxamide
CID 95904933
(3R)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-(2-methylpropyl)morpholine-4-carboxamide
CID 95904931

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylpropanoylamino)phenyl]-3-(2-methylpropyl)morpholine-4-carboxamide?
The IUPAC name of N-[4-(2-methylpropanoylamino)phenyl]-3-(2-methylpropyl)morpholine-4-carboxamide (CID 56794682) is N-[4-(2-methylpropanoylamino)phenyl]-3-(2-methylpropyl)morpholine-4-carboxamide.
What is the SMILES notation for N-[4-(2-methylpropanoylamino)phenyl]-3-(2-methylpropyl)morpholine-4-carboxamide?
The canonical SMILES for N-[4-(2-methylpropanoylamino)phenyl]-3-(2-methylpropyl)morpholine-4-carboxamide is CC(C)CC1COCCN1C(=O)Nc1ccc(NC(=O)C(C)C)cc1.
What is the InChIKey of N-[4-(2-methylpropanoylamino)phenyl]-3-(2-methylpropyl)morpholine-4-carboxamide?
The InChIKey is SXYYOBLQECQZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-13(2)11-17-12-25-10-9-22(17)19(24)21-16-7-5-15(6-8-16)20-18(23)14(3)4/h5-8,13-14,17H,9-12H2,1-4H3,(H,20,23)(H,21,24).
What are the key properties of N-[4-(2-methylpropanoylamino)phenyl]-3-(2-methylpropyl)morpholine-4-carboxamide?
N-[4-(2-methylpropanoylamino)phenyl]-3-(2-methylpropyl)morpholine-4-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylpropanoylamino)phenyl]-3-(2-methylpropyl)morpholine-4-carboxamide is sourced from PubChem (CID 56794682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).