molecular hydrogen;N-[[(2S)-4-pentylmorpholin-2-yl]methyl]butanamide

C14H30N2O2 — CID 155741026

IUPACmolecular hydrogen;N-[[(2S)-4-pentylmorpholin-2-yl]methyl]butanamide
SMILESCCCCCN1CCO[C@@H](CNC(=O)CCC)C1.[H][H]
InChIInChI=1S/C14H28N2O2.H2/c1-3-5-6-8-16-9-10-18-13(12-16)11-15-14(17)7-4-2;/h13H,3-12H2,1-2H3,(H,15,17);1H/t13-;/m0./s1
InChIKeySHQYNMDQGWLOMO-ZOWNYOTGSA-N
MW258.41 g/mol
LogP2.04
Rot. Bonds8

About molecular hydrogen;N-[[(2S)-4-pentylmorpholin-2-yl]methyl]butanamide

molecular hydrogen;N-[[(2S)-4-pentylmorpholin-2-yl]methyl]butanamide (PubChem CID 155741026) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is molecular hydrogen;N-[[(2S)-4-pentylmorpholin-2-yl]methyl]butanamide.

Molecular Properties

Compound Namemolecular hydrogen;N-[[(2S)-4-pentylmorpholin-2-yl]methyl]butanamide
PubChem CID155741026
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Namemolecular hydrogen;N-[[(2S)-4-pentylmorpholin-2-yl]methyl]butanamide
SMILESCCCCCN1CCO[C@@H](CNC(=O)CCC)C1.[H][H]
InChIInChI=1S/C14H28N2O2.H2/c1-3-5-6-8-16-9-10-18-13(12-16)11-15-14(17)7-4-2;/h13H,3-12H2,1-2H3,(H,15,17);1H/t13-;/m0./s1
InChIKeySHQYNMDQGWLOMO-ZOWNYOTGSA-N
XLogP2.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
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

N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]butanamide
CID 155739567
2-methyl-N-[[(2R)-4-pentylmorpholin-2-yl]methyl]butanamide
CID 163401131
2-methyl-N-[[(2S)-4-(2-pentoxyethyl)morpholin-2-yl]methyl]propanamide
CID 138727702
(4-dodecylmorpholin-2-yl)methanamine
CID 63486829
ethane;2-methyl-N-[[4-(2-pentoxyethyl)morpholin-2-yl]methyl]propanamide
CID 142616120
4-dodecyl-2-ethylmorpholine
CID 4616518
N-[[(2S)-4-(2-butoxyethyl)morpholin-2-yl]methyl]-2-methylpropanamide
CID 156523761
2-(chloromethyl)-4-pentylmorpholine
CID 81213679
(2S)-2-butyl-4-decylmorpholine
CID 98152093
N-[[(2R)-oxiran-2-yl]methyl]butanamide
CID 97180860
2-(chloromethyl)-4-heptylmorpholine
CID 81213546
2-methyl-N-[[(2S)-4-(4-methylpentyl)morpholin-2-yl]methyl]propanamide
CID 166016856

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;N-[[(2S)-4-pentylmorpholin-2-yl]methyl]butanamide?
The IUPAC name of molecular hydrogen;N-[[(2S)-4-pentylmorpholin-2-yl]methyl]butanamide (CID 155741026) is molecular hydrogen;N-[[(2S)-4-pentylmorpholin-2-yl]methyl]butanamide.
What is the SMILES notation for molecular hydrogen;N-[[(2S)-4-pentylmorpholin-2-yl]methyl]butanamide?
The canonical SMILES for molecular hydrogen;N-[[(2S)-4-pentylmorpholin-2-yl]methyl]butanamide is CCCCCN1CCO[C@@H](CNC(=O)CCC)C1.[H][H].
What is the InChIKey of molecular hydrogen;N-[[(2S)-4-pentylmorpholin-2-yl]methyl]butanamide?
The InChIKey is SHQYNMDQGWLOMO-ZOWNYOTGSA-N. The full InChI is InChI=1S/C14H28N2O2.H2/c1-3-5-6-8-16-9-10-18-13(12-16)11-15-14(17)7-4-2;/h13H,3-12H2,1-2H3,(H,15,17);1H/t13-;/m0./s1.
What are the key properties of molecular hydrogen;N-[[(2S)-4-pentylmorpholin-2-yl]methyl]butanamide?
molecular hydrogen;N-[[(2S)-4-pentylmorpholin-2-yl]methyl]butanamide has a molecular weight of 258.41 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 molecular hydrogen;N-[[(2S)-4-pentylmorpholin-2-yl]methyl]butanamide is sourced from PubChem (CID 155741026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).