N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]butanamide

C13H27N3O2 — CID 155739567

IUPACN-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]butanamide
SMILESCCCC(=O)NC[C@H]1CN(CCNCC)CCO1
InChIInChI=1S/C13H27N3O2/c1-3-5-13(17)15-10-12-11-16(8-9-18-12)7-6-14-4-2/h12,14H,3-11H2,1-2H3,(H,15,17)/t12-/m0/s1
InChIKeyHHRQYNLLIAESJK-LBPRGKRZSA-N
MW257.38 g/mol
LogP0.21
Rot. Bonds8

About N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]butanamide

N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]butanamide (PubChem CID 155739567) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]butanamide.

Molecular Properties

Compound NameN-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]butanamide
PubChem CID155739567
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]butanamide
SMILESCCCC(=O)NC[C@H]1CN(CCNCC)CCO1
InChIInChI=1S/C13H27N3O2/c1-3-5-13(17)15-10-12-11-16(8-9-18-12)7-6-14-4-2/h12,14H,3-11H2,1-2H3,(H,15,17)/t12-/m0/s1
InChIKeyHHRQYNLLIAESJK-LBPRGKRZSA-N
XLogP0.21
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

molecular hydrogen;N-[[(2S)-4-pentylmorpholin-2-yl]methyl]butanamide
CID 155741026
N-[[4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine
CID 155707218
N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine
CID 155188422
3-[(4-ethylmorpholin-2-yl)methylamino]-N-propylpropanamide
CID 79165758
2-[(4-ethylmorpholin-2-yl)methylamino]-N-propylacetamide
CID 78960685
N-[[(2R)-oxiran-2-yl]methyl]butanamide
CID 97180860
N-(cyclopropylmethyl)-2-(2-ethylmorpholin-4-yl)ethanamine
CID 60866421
N-[(4-ethylmorpholin-2-yl)methyl]-2-methoxyacetamide
CID 115629823
2-methyl-N-[[(2R)-4-pentylmorpholin-2-yl]methyl]butanamide
CID 163401131
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-sulfanylidenepropanamide
CID 114400114
2-methyl-N-[[(2R)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine
CID 170057363
potassium;carbanide;ethane;N-[[4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]-N-methylformamide
CID 164557349

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]butanamide?
The IUPAC name of N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]butanamide (CID 155739567) is N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]butanamide.
What is the SMILES notation for N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]butanamide?
The canonical SMILES for N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]butanamide is CCCC(=O)NC[C@H]1CN(CCNCC)CCO1.
What is the InChIKey of N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]butanamide?
The InChIKey is HHRQYNLLIAESJK-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-3-5-13(17)15-10-12-11-16(8-9-18-12)7-6-14-4-2/h12,14H,3-11H2,1-2H3,(H,15,17)/t12-/m0/s1.
What are the key properties of N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]butanamide?
N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]butanamide has a molecular weight of 257.38 g/mol, XLogP of 0.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]butanamide is sourced from PubChem (CID 155739567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).