2-methyl-N-[[(2R)-4-pentylmorpholin-2-yl]methyl]butanamide

C15H30N2O2 — CID 163401131

IUPAC2-methyl-N-[[(2R)-4-pentylmorpholin-2-yl]methyl]butanamide
SMILESCCCCCN1CCO[C@H](CNC(=O)C(C)CC)C1
InChIInChI=1S/C15H30N2O2/c1-4-6-7-8-17-9-10-19-14(12-17)11-16-15(18)13(3)5-2/h13-14H,4-12H2,1-3H3,(H,16,18)/t13?,14-/m1/s1
InChIKeyDDFLAHWXXIAXKV-ARLHGKGLSA-N
MW270.42 g/mol
LogP2.04
Rot. Bonds8

About 2-methyl-N-[[(2R)-4-pentylmorpholin-2-yl]methyl]butanamide

2-methyl-N-[[(2R)-4-pentylmorpholin-2-yl]methyl]butanamide (PubChem CID 163401131) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-methyl-N-[[(2R)-4-pentylmorpholin-2-yl]methyl]butanamide.

Molecular Properties

Compound Name2-methyl-N-[[(2R)-4-pentylmorpholin-2-yl]methyl]butanamide
PubChem CID163401131
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name2-methyl-N-[[(2R)-4-pentylmorpholin-2-yl]methyl]butanamide
SMILESCCCCCN1CCO[C@H](CNC(=O)C(C)CC)C1
InChIInChI=1S/C15H30N2O2/c1-4-6-7-8-17-9-10-19-14(12-17)11-16-15(18)13(3)5-2/h13-14H,4-12H2,1-3H3,(H,16,18)/t13?,14-/m1/s1
InChIKeyDDFLAHWXXIAXKV-ARLHGKGLSA-N
XLogP2.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[[(2S)-4-(2-pentoxyethyl)morpholin-2-yl]methyl]propanamide
CID 138727702
ethane;2-methyl-N-[[4-(2-pentoxyethyl)morpholin-2-yl]methyl]propanamide
CID 142616120
N-[[(2S)-4-(2-butoxyethyl)morpholin-2-yl]methyl]-2-methylpropanamide
CID 156523761
2-methyl-N-[[(2S)-4-(4-methylpentyl)morpholin-2-yl]methyl]propanamide
CID 166016856
molecular hydrogen;N-[[(2S)-4-pentylmorpholin-2-yl]methyl]butanamide
CID 155741026
N-[[(2R)-4-[2-(4,4-dimethylheptoxy)ethyl]morpholin-2-yl]methyl]-2-methylpentanamide
CID 170091257
N,2-dimethyl-N-[(4-pentylmorpholin-2-yl)methyl]propanamide
CID 163400251
N-[[4-[2-(4-aminobutoxy)ethyl]morpholin-2-yl]methyl]-2-methylpropanamide
CID 166118448
(2R)-2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylbutanamide
CID 104921013
4-dodecyl-2-ethylmorpholine
CID 4616518
2-(chloromethyl)-4-pentylmorpholine
CID 81213679
(2S)-2-butyl-4-decylmorpholine
CID 98152093

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[(2R)-4-pentylmorpholin-2-yl]methyl]butanamide?
The IUPAC name of 2-methyl-N-[[(2R)-4-pentylmorpholin-2-yl]methyl]butanamide (CID 163401131) is 2-methyl-N-[[(2R)-4-pentylmorpholin-2-yl]methyl]butanamide.
What is the SMILES notation for 2-methyl-N-[[(2R)-4-pentylmorpholin-2-yl]methyl]butanamide?
The canonical SMILES for 2-methyl-N-[[(2R)-4-pentylmorpholin-2-yl]methyl]butanamide is CCCCCN1CCO[C@H](CNC(=O)C(C)CC)C1.
What is the InChIKey of 2-methyl-N-[[(2R)-4-pentylmorpholin-2-yl]methyl]butanamide?
The InChIKey is DDFLAHWXXIAXKV-ARLHGKGLSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-4-6-7-8-17-9-10-19-14(12-17)11-16-15(18)13(3)5-2/h13-14H,4-12H2,1-3H3,(H,16,18)/t13?,14-/m1/s1.
What are the key properties of 2-methyl-N-[[(2R)-4-pentylmorpholin-2-yl]methyl]butanamide?
2-methyl-N-[[(2R)-4-pentylmorpholin-2-yl]methyl]butanamide has a molecular weight of 270.42 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[(2R)-4-pentylmorpholin-2-yl]methyl]butanamide is sourced from PubChem (CID 163401131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).