N-[4-[[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methylamino]methyl]phenyl]acetamide

C18H29N3O2 — CID 9268036

IUPACN-[4-[[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNC[C@H]2CN(CC(C)C)CCO2)cc1
InChIInChI=1S/C18H29N3O2/c1-14(2)12-21-8-9-23-18(13-21)11-19-10-16-4-6-17(7-5-16)20-15(3)22/h4-7,14,18-19H,8-13H2,1-3H3,(H,20,22)/t18-/m0/s1
InChIKeyQXBTWVWXUCAWPR-SFHVURJKSA-N
MW319.45 g/mol
LogP2.09
Rot. Bonds7

About N-[4-[[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methylamino]methyl]phenyl]acetamide

N-[4-[[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methylamino]methyl]phenyl]acetamide (PubChem CID 9268036) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[4-[[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methylamino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methylamino]methyl]phenyl]acetamide
PubChem CID9268036
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN-[4-[[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNC[C@H]2CN(CC(C)C)CCO2)cc1
InChIInChI=1S/C18H29N3O2/c1-14(2)12-21-8-9-23-18(13-21)11-19-10-16-4-6-17(7-5-16)20-15(3)22/h4-7,14,18-19H,8-13H2,1-3H3,(H,20,22)/t18-/m0/s1
InChIKeyQXBTWVWXUCAWPR-SFHVURJKSA-N
XLogP2.09
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methylamino]methyl]phenyl]acetamide with MolForge

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Related Compounds

N-[4-[[(4-ethylmorpholin-2-yl)methylamino]methyl]phenyl]acetamide
CID 115616524
4-acetamido-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 17479762
1-(4-methylphenyl)-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea
CID 4798763
4-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzoic acid
CID 114399651
1-[(4-methoxyphenyl)methyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea
CID 42889274
3-(4-methylphenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide
CID 134032540
1-benzyl-3-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]thiourea
CID 9283755
N-[3-[[[ethylamino-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]methylidene]amino]methyl]phenyl]acetamide;hydroiodide
CID 111368920
N-(4-fluorophenyl)-2-[[N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]acetamide
CID 111368761
3-(4-tert-butylphenyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide
CID 35363430
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2,2-diphenylacetamide
CID 7995361
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropanecarboxamide
CID 95168375

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methylamino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methylamino]methyl]phenyl]acetamide (CID 9268036) is N-[4-[[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methylamino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methylamino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methylamino]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CNC[C@H]2CN(CC(C)C)CCO2)cc1.
What is the InChIKey of N-[4-[[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methylamino]methyl]phenyl]acetamide?
The InChIKey is QXBTWVWXUCAWPR-SFHVURJKSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-14(2)12-21-8-9-23-18(13-21)11-19-10-16-4-6-17(7-5-16)20-15(3)22/h4-7,14,18-19H,8-13H2,1-3H3,(H,20,22)/t18-/m0/s1.
What are the key properties of N-[4-[[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methylamino]methyl]phenyl]acetamide?
N-[4-[[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methylamino]methyl]phenyl]acetamide has a molecular weight of 319.45 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methylamino]methyl]phenyl]acetamide is sourced from PubChem (CID 9268036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).