N,N-dimethyl-3-(propan-2-ylamino)butanamide;ethane;3-(methylamino)-1-pyrrolidin-1-ylpropan-1-one

C19H42N4O2 — CID 163270611

IUPACN,N-dimethyl-3-(propan-2-ylamino)butanamide;ethane;3-(methylamino)-1-pyrrolidin-1-ylpropan-1-one
SMILESCC.CC(C)NC(C)CC(=O)N(C)C.CNCCC(=O)N1CCCC1
InChIInChI=1S/C9H20N2O.C8H16N2O.C2H6/c1-7(2)10-8(3)6-9(12)11(4)5;1-9-5-4-8(11)10-6-2-3-7-10;1-2/h7-8,10H,6H2,1-5H3;9H,2-7H2,1H3;1-2H3
InChIKeyBKZDFILXZSRGLC-UHFFFAOYSA-N
MW358.57 g/mol
LogP2.10
Rot. Bonds7

About N,N-dimethyl-3-(propan-2-ylamino)butanamide;ethane;3-(methylamino)-1-pyrrolidin-1-ylpropan-1-one

N,N-dimethyl-3-(propan-2-ylamino)butanamide;ethane;3-(methylamino)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 163270611) has the molecular formula C19H42N4O2 and a molecular weight of 358.57 g/mol. Its IUPAC name is N,N-dimethyl-3-(propan-2-ylamino)butanamide;ethane;3-(methylamino)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound NameN,N-dimethyl-3-(propan-2-ylamino)butanamide;ethane;3-(methylamino)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID163270611
Molecular FormulaC19H42N4O2
Molecular Weight358.57 g/mol
Exact Mass358.33
IUPAC NameN,N-dimethyl-3-(propan-2-ylamino)butanamide;ethane;3-(methylamino)-1-pyrrolidin-1-ylpropan-1-one
SMILESCC.CC(C)NC(C)CC(=O)N(C)C.CNCCC(=O)N1CCCC1
InChIInChI=1S/C9H20N2O.C8H16N2O.C2H6/c1-7(2)10-8(3)6-9(12)11(4)5;1-9-5-4-8(11)10-6-2-3-7-10;1-2/h7-8,10H,6H2,1-5H3;9H,2-7H2,1H3;1-2H3
InChIKeyBKZDFILXZSRGLC-UHFFFAOYSA-N
XLogP2.10
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.57
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]butanamide
CID 113411347
3-(butan-2-ylamino)-1-pyrrolidin-1-ylbutan-1-one
CID 170295509
3-[[amino(methyl)amino]methylamino]-1-piperidin-1-ylpropan-1-one
CID 137454148
2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 61251378
N,N-dimethyl-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanamide
CID 60711283
3-[2-(dimethylamino)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 109013258
N,N-dimethyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]piperidine-1-carboxamide
CID 83199504
3-(1-ethoxypropan-2-ylamino)-1-piperidin-1-ylpropan-1-one
CID 113260256
3-[[(2S)-1-hydroxypropan-2-yl]amino]-N,N-dimethylbutanamide
CID 103789069
2-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)propanamide
CID 107905705
4-(methylamino)-1-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]butan-1-one
CID 119898937
2-[4-[3-(methylamino)propanoyl]-1,4-diazepan-1-yl]acetic acid
CID 55118909

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(propan-2-ylamino)butanamide;ethane;3-(methylamino)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of N,N-dimethyl-3-(propan-2-ylamino)butanamide;ethane;3-(methylamino)-1-pyrrolidin-1-ylpropan-1-one (CID 163270611) is N,N-dimethyl-3-(propan-2-ylamino)butanamide;ethane;3-(methylamino)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for N,N-dimethyl-3-(propan-2-ylamino)butanamide;ethane;3-(methylamino)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for N,N-dimethyl-3-(propan-2-ylamino)butanamide;ethane;3-(methylamino)-1-pyrrolidin-1-ylpropan-1-one is CC.CC(C)NC(C)CC(=O)N(C)C.CNCCC(=O)N1CCCC1.
What is the InChIKey of N,N-dimethyl-3-(propan-2-ylamino)butanamide;ethane;3-(methylamino)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is BKZDFILXZSRGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O.C8H16N2O.C2H6/c1-7(2)10-8(3)6-9(12)11(4)5;1-9-5-4-8(11)10-6-2-3-7-10;1-2/h7-8,10H,6H2,1-5H3;9H,2-7H2,1H3;1-2H3.
What are the key properties of N,N-dimethyl-3-(propan-2-ylamino)butanamide;ethane;3-(methylamino)-1-pyrrolidin-1-ylpropan-1-one?
N,N-dimethyl-3-(propan-2-ylamino)butanamide;ethane;3-(methylamino)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 358.57 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(propan-2-ylamino)butanamide;ethane;3-(methylamino)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 163270611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).