(3S)-N-(3-anilino-3-oxopropyl)-4-(cyclobutylmethyl)morpholine-3-carboxamide

C19H27N3O3 — CID 124618160

IUPAC(3S)-N-(3-anilino-3-oxopropyl)-4-(cyclobutylmethyl)morpholine-3-carboxamide
SMILESO=C(CCNC(=O)[C@@H]1COCCN1CC1CCC1)Nc1ccccc1
InChIInChI=1S/C19H27N3O3/c23-18(21-16-7-2-1-3-8-16)9-10-20-19(24)17-14-25-12-11-22(17)13-15-5-4-6-15/h1-3,7-8,15,17H,4-6,9-14H2,(H,20,24)(H,21,23)/t17-/m0/s1
InChIKeyXAYIJOYFJBLGKM-KRWDZBQOSA-N
MW345.44 g/mol
LogP1.63
Rot. Bonds7

About (3S)-N-(3-anilino-3-oxopropyl)-4-(cyclobutylmethyl)morpholine-3-carboxamide

(3S)-N-(3-anilino-3-oxopropyl)-4-(cyclobutylmethyl)morpholine-3-carboxamide (PubChem CID 124618160) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is (3S)-N-(3-anilino-3-oxopropyl)-4-(cyclobutylmethyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-anilino-3-oxopropyl)-4-(cyclobutylmethyl)morpholine-3-carboxamide
PubChem CID124618160
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name(3S)-N-(3-anilino-3-oxopropyl)-4-(cyclobutylmethyl)morpholine-3-carboxamide
SMILESO=C(CCNC(=O)[C@@H]1COCCN1CC1CCC1)Nc1ccccc1
InChIInChI=1S/C19H27N3O3/c23-18(21-16-7-2-1-3-8-16)9-10-20-19(24)17-14-25-12-11-22(17)13-15-5-4-6-15/h1-3,7-8,15,17H,4-6,9-14H2,(H,20,24)(H,21,23)/t17-/m0/s1
InChIKeyXAYIJOYFJBLGKM-KRWDZBQOSA-N
XLogP1.63
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclobutylmethyl)-N-[3-(hydroxymethyl)phenyl]morpholine-3-carboxamide
CID 86801210
(3S)-4-(cyclobutylmethyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)morpholine-3-carboxamide
CID 124619070
(3R)-N-(2-anilino-2-oxoethyl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
CID 124844817
N-(3-anilino-3-oxopropyl)-2-hydroxycyclopentane-1-carboxamide
CID 110014616
4-(cyclobutylmethyl)-N-[3-(difluoromethylsulfonyl)phenyl]morpholine-3-carboxamide
CID 126776905
(3R)-N-[2-(3-chloroanilino)-2-oxoethyl]-4-(cyclobutylmethyl)-N-methylmorpholine-3-carboxamide
CID 99787391
4-(cyclobutylmethyl)-N-[2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethyl]morpholine-3-carboxamide
CID 167858056
(3S)-4-(cyclobutylmethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine-3-carboxamide
CID 124618201
3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-phenylpropanamide
CID 119785804
(3R)-N,4-dibenzylmorpholine-3-carboxamide
CID 143132848
1-benzyl-N-[3-(3-methylanilino)-3-oxopropyl]piperidine-2-carboxamide
CID 131905339
3-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-N-phenylpropanamide
CID 47060175

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-anilino-3-oxopropyl)-4-(cyclobutylmethyl)morpholine-3-carboxamide?
The IUPAC name of (3S)-N-(3-anilino-3-oxopropyl)-4-(cyclobutylmethyl)morpholine-3-carboxamide (CID 124618160) is (3S)-N-(3-anilino-3-oxopropyl)-4-(cyclobutylmethyl)morpholine-3-carboxamide.
What is the SMILES notation for (3S)-N-(3-anilino-3-oxopropyl)-4-(cyclobutylmethyl)morpholine-3-carboxamide?
The canonical SMILES for (3S)-N-(3-anilino-3-oxopropyl)-4-(cyclobutylmethyl)morpholine-3-carboxamide is O=C(CCNC(=O)[C@@H]1COCCN1CC1CCC1)Nc1ccccc1.
What is the InChIKey of (3S)-N-(3-anilino-3-oxopropyl)-4-(cyclobutylmethyl)morpholine-3-carboxamide?
The InChIKey is XAYIJOYFJBLGKM-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H27N3O3/c23-18(21-16-7-2-1-3-8-16)9-10-20-19(24)17-14-25-12-11-22(17)13-15-5-4-6-15/h1-3,7-8,15,17H,4-6,9-14H2,(H,20,24)(H,21,23)/t17-/m0/s1.
What are the key properties of (3S)-N-(3-anilino-3-oxopropyl)-4-(cyclobutylmethyl)morpholine-3-carboxamide?
(3S)-N-(3-anilino-3-oxopropyl)-4-(cyclobutylmethyl)morpholine-3-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-anilino-3-oxopropyl)-4-(cyclobutylmethyl)morpholine-3-carboxamide is sourced from PubChem (CID 124618160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).