N-ethyl-2-[ethyl-[4-(propan-2-ylamino)butyl]amino]-3-methylbutanamide

C16H35N3O — CID 163657277

IUPACN-ethyl-2-[ethyl-[4-(propan-2-ylamino)butyl]amino]-3-methylbutanamide
SMILESCCNC(=O)C(C(C)C)N(CC)CCCCNC(C)C
InChIInChI=1S/C16H35N3O/c1-7-17-16(20)15(13(3)4)19(8-2)12-10-9-11-18-14(5)6/h13-15,18H,7-12H2,1-6H3,(H,17,20)
InChIKeyIRIQXYKPTIIYPV-UHFFFAOYSA-N
MW285.48 g/mol
LogP2.25
Rot. Bonds11

About N-ethyl-2-[ethyl-[4-(propan-2-ylamino)butyl]amino]-3-methylbutanamide

N-ethyl-2-[ethyl-[4-(propan-2-ylamino)butyl]amino]-3-methylbutanamide (PubChem CID 163657277) has the molecular formula C16H35N3O and a molecular weight of 285.48 g/mol. Its IUPAC name is N-ethyl-2-[ethyl-[4-(propan-2-ylamino)butyl]amino]-3-methylbutanamide.

Molecular Properties

Compound NameN-ethyl-2-[ethyl-[4-(propan-2-ylamino)butyl]amino]-3-methylbutanamide
PubChem CID163657277
Molecular FormulaC16H35N3O
Molecular Weight285.48 g/mol
Exact Mass285.28
IUPAC NameN-ethyl-2-[ethyl-[4-(propan-2-ylamino)butyl]amino]-3-methylbutanamide
SMILESCCNC(=O)C(C(C)C)N(CC)CCCCNC(C)C
InChIInChI=1S/C16H35N3O/c1-7-17-16(20)15(13(3)4)19(8-2)12-10-9-11-18-14(5)6/h13-15,18H,7-12H2,1-6H3,(H,17,20)
InChIKeyIRIQXYKPTIIYPV-UHFFFAOYSA-N
XLogP2.25
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[butyl(ethyl)amino]-3-methylbutanoyl]amino]propanoic acid
CID 82043173
N-ethyl-2-[ethyl-(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)amino]acetamide
CID 55213084
N-[1-(ethylamino)-1-oxopropan-2-yl]-4-(propan-2-ylamino)butanamide
CID 60850068
N-methyl-N-[4-(propan-2-ylamino)butyl]butanamide
CID 169214766
2-[3-aminopropyl(ethyl)amino]-N-(ethylcarbamoyl)propanamide
CID 43137250
N-[2-(diethylamino)ethyl]-4-(propan-2-ylamino)butanamide
CID 60849509
N,N'-di(propan-2-yl)-N'-[3-(propan-2-ylamino)propyl]propane-1,3-diamine
CID 164863364
tert-butyl N-methyl-N-[4-(propan-2-ylamino)butyl]carbamate
CID 58244816
2-amino-N-[8-(propan-2-ylamino)octyl]acetamide
CID 154670935
N-ethyl-2-(3-hydroxypropylamino)propanamide
CID 43392791
N'-(2-methylpropyl)-N'-pentan-3-yl-N-propan-2-ylhexane-1,6-diamine
CID 79492004
N,N-dipentyl-4-(propan-2-ylamino)butanamide
CID 60947135

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[ethyl-[4-(propan-2-ylamino)butyl]amino]-3-methylbutanamide?
The IUPAC name of N-ethyl-2-[ethyl-[4-(propan-2-ylamino)butyl]amino]-3-methylbutanamide (CID 163657277) is N-ethyl-2-[ethyl-[4-(propan-2-ylamino)butyl]amino]-3-methylbutanamide.
What is the SMILES notation for N-ethyl-2-[ethyl-[4-(propan-2-ylamino)butyl]amino]-3-methylbutanamide?
The canonical SMILES for N-ethyl-2-[ethyl-[4-(propan-2-ylamino)butyl]amino]-3-methylbutanamide is CCNC(=O)C(C(C)C)N(CC)CCCCNC(C)C.
What is the InChIKey of N-ethyl-2-[ethyl-[4-(propan-2-ylamino)butyl]amino]-3-methylbutanamide?
The InChIKey is IRIQXYKPTIIYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3O/c1-7-17-16(20)15(13(3)4)19(8-2)12-10-9-11-18-14(5)6/h13-15,18H,7-12H2,1-6H3,(H,17,20).
What are the key properties of N-ethyl-2-[ethyl-[4-(propan-2-ylamino)butyl]amino]-3-methylbutanamide?
N-ethyl-2-[ethyl-[4-(propan-2-ylamino)butyl]amino]-3-methylbutanamide has a molecular weight of 285.48 g/mol, XLogP of 2.25, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[ethyl-[4-(propan-2-ylamino)butyl]amino]-3-methylbutanamide is sourced from PubChem (CID 163657277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).