4-amino-N-[5-(diethylamino)pentan-2-yl]-3-methoxybutanamide

C14H31N3O2 — CID 103154141

IUPAC4-amino-N-[5-(diethylamino)pentan-2-yl]-3-methoxybutanamide
SMILESCCN(CC)CCCC(C)NC(=O)CC(CN)OC
InChIInChI=1S/C14H31N3O2/c1-5-17(6-2)9-7-8-12(3)16-14(18)10-13(11-15)19-4/h12-13H,5-11,15H2,1-4H3,(H,16,18)
InChIKeyOBSWMSLRRZQFDJ-UHFFFAOYSA-N
MW273.42 g/mol
LogP0.98
Rot. Bonds11

About 4-amino-N-[5-(diethylamino)pentan-2-yl]-3-methoxybutanamide

4-amino-N-[5-(diethylamino)pentan-2-yl]-3-methoxybutanamide (PubChem CID 103154141) has the molecular formula C14H31N3O2 and a molecular weight of 273.42 g/mol. Its IUPAC name is 4-amino-N-[5-(diethylamino)pentan-2-yl]-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-[5-(diethylamino)pentan-2-yl]-3-methoxybutanamide
PubChem CID103154141
Molecular FormulaC14H31N3O2
Molecular Weight273.42 g/mol
Exact Mass273.24
IUPAC Name4-amino-N-[5-(diethylamino)pentan-2-yl]-3-methoxybutanamide
SMILESCCN(CC)CCCC(C)NC(=O)CC(CN)OC
InChIInChI=1S/C14H31N3O2/c1-5-17(6-2)9-7-8-12(3)16-14(18)10-13(11-15)19-4/h12-13H,5-11,15H2,1-4H3,(H,16,18)
InChIKeyOBSWMSLRRZQFDJ-UHFFFAOYSA-N
XLogP0.98
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(diethylamino)pentan-2-yl]propanamide
CID 60707685
3-amino-N-[5-(diethylamino)pentan-2-yl]-3-phenylpropanamide
CID 119952645
6-amino-N-[5-(diethylamino)pentan-2-yl]hexanamide
CID 24702267
N-[5-(diethylamino)pentan-2-yl]butanamide
CID 60707663
4-amino-3-methoxy-N-(3-methylbutan-2-yl)butanamide
CID 103154290
methyl 2-[5-(diethylamino)pentan-2-ylamino]-2-oxoacetate
CID 112616629
(2S)-2-amino-N-[5-(diethylamino)pentan-2-yl]propanamide
CID 61147751
4-amino-3-methoxy-N-pent-4-en-2-ylbutanamide
CID 103156652
5-bromo-N-[5-(diethylamino)pentan-2-yl]pentanamide
CID 114014573
4-amino-N-(3-ethylpentan-2-yl)-3-methoxybutanamide
CID 103155921
N-(2-aminoethyl)-N'-[5-(diethylamino)pentan-2-yl]oxamide
CID 43316024
methyl (2S,3S)-2-[(4-amino-3-methoxybutanoyl)amino]-3-methylpentanoate
CID 120590169

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[5-(diethylamino)pentan-2-yl]-3-methoxybutanamide?
The IUPAC name of 4-amino-N-[5-(diethylamino)pentan-2-yl]-3-methoxybutanamide (CID 103154141) is 4-amino-N-[5-(diethylamino)pentan-2-yl]-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-[5-(diethylamino)pentan-2-yl]-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-[5-(diethylamino)pentan-2-yl]-3-methoxybutanamide is CCN(CC)CCCC(C)NC(=O)CC(CN)OC.
What is the InChIKey of 4-amino-N-[5-(diethylamino)pentan-2-yl]-3-methoxybutanamide?
The InChIKey is OBSWMSLRRZQFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O2/c1-5-17(6-2)9-7-8-12(3)16-14(18)10-13(11-15)19-4/h12-13H,5-11,15H2,1-4H3,(H,16,18).
What are the key properties of 4-amino-N-[5-(diethylamino)pentan-2-yl]-3-methoxybutanamide?
4-amino-N-[5-(diethylamino)pentan-2-yl]-3-methoxybutanamide has a molecular weight of 273.42 g/mol, XLogP of 0.98, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[5-(diethylamino)pentan-2-yl]-3-methoxybutanamide is sourced from PubChem (CID 103154141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).