N-[(2S)-1-[2-(4-methoxyanilino)ethylamino]-1-oxopropan-2-yl]morpholine-4-carboxamide

C17H26N4O4 — CID 59639327

IUPACN-[(2S)-1-[2-(4-methoxyanilino)ethylamino]-1-oxopropan-2-yl]morpholine-4-carboxamide
SMILESCOc1ccc(NCCNC(=O)[C@H](C)NC(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H26N4O4/c1-13(20-17(23)21-9-11-25-12-10-21)16(22)19-8-7-18-14-3-5-15(24-2)6-4-14/h3-6,13,18H,7-12H2,1-2H3,(H,19,22)(H,20,23)/t13-/m0/s1
InChIKeyBRRGAVRVIHBICG-ZDUSSCGKSA-N
MW350.42 g/mol
LogP0.65
Rot. Bonds7

About N-[(2S)-1-[2-(4-methoxyanilino)ethylamino]-1-oxopropan-2-yl]morpholine-4-carboxamide

N-[(2S)-1-[2-(4-methoxyanilino)ethylamino]-1-oxopropan-2-yl]morpholine-4-carboxamide (PubChem CID 59639327) has the molecular formula C17H26N4O4 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[(2S)-1-[2-(4-methoxyanilino)ethylamino]-1-oxopropan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[2-(4-methoxyanilino)ethylamino]-1-oxopropan-2-yl]morpholine-4-carboxamide
PubChem CID59639327
Molecular FormulaC17H26N4O4
Molecular Weight350.42 g/mol
Exact Mass350.20
IUPAC NameN-[(2S)-1-[2-(4-methoxyanilino)ethylamino]-1-oxopropan-2-yl]morpholine-4-carboxamide
SMILESCOc1ccc(NCCNC(=O)[C@H](C)NC(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H26N4O4/c1-13(20-17(23)21-9-11-25-12-10-21)16(22)19-8-7-18-14-3-5-15(24-2)6-4-14/h3-6,13,18H,7-12H2,1-2H3,(H,19,22)(H,20,23)/t13-/m0/s1
InChIKeyBRRGAVRVIHBICG-ZDUSSCGKSA-N
XLogP0.65
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide
CID 669628
N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 53370060
N-[(S)-(4-methoxyphenyl)-phenylmethyl]morpholine-4-carboxamide
CID 94513081
N-[2-(4-methoxyanilino)ethyl]propanamide
CID 12709131
N-[2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]ethyl]morpholine-4-carboxamide
CID 155893558
(2S)-2-acetamido-N-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropanamide
CID 40542048
N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]morpholine-4-carboxamide
CID 112503691
1-butan-2-yl-3-[4-[2-(4-methoxyanilino)ethylamino]phenyl]urea
CID 130268599
N-[2-(4-tert-butylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-methylmorpholine-4-carboxamide
CID 121316815
N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide
CID 108959866
2-(4-methoxyphenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]acetamide
CID 110285557
2-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylethyl)butanamide
CID 110316912

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[2-(4-methoxyanilino)ethylamino]-1-oxopropan-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[(2S)-1-[2-(4-methoxyanilino)ethylamino]-1-oxopropan-2-yl]morpholine-4-carboxamide (CID 59639327) is N-[(2S)-1-[2-(4-methoxyanilino)ethylamino]-1-oxopropan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-[2-(4-methoxyanilino)ethylamino]-1-oxopropan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[(2S)-1-[2-(4-methoxyanilino)ethylamino]-1-oxopropan-2-yl]morpholine-4-carboxamide is COc1ccc(NCCNC(=O)[C@H](C)NC(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[(2S)-1-[2-(4-methoxyanilino)ethylamino]-1-oxopropan-2-yl]morpholine-4-carboxamide?
The InChIKey is BRRGAVRVIHBICG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H26N4O4/c1-13(20-17(23)21-9-11-25-12-10-21)16(22)19-8-7-18-14-3-5-15(24-2)6-4-14/h3-6,13,18H,7-12H2,1-2H3,(H,19,22)(H,20,23)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-[2-(4-methoxyanilino)ethylamino]-1-oxopropan-2-yl]morpholine-4-carboxamide?
N-[(2S)-1-[2-(4-methoxyanilino)ethylamino]-1-oxopropan-2-yl]morpholine-4-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 0.65, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[2-(4-methoxyanilino)ethylamino]-1-oxopropan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 59639327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).