propan-2-yl N-[3-(dimethylamino)-3-oxopropyl]carbamate

C9H18N2O3 — CID 116655237

IUPACpropan-2-yl N-[3-(dimethylamino)-3-oxopropyl]carbamate
SMILESCC(C)OC(=O)NCCC(=O)N(C)C
InChIInChI=1S/C9H18N2O3/c1-7(2)14-9(13)10-6-5-8(12)11(3)4/h7H,5-6H2,1-4H3,(H,10,13)
InChIKeyFVLGTWJDASLHAX-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.60
Rot. Bonds4

About propan-2-yl N-[3-(dimethylamino)-3-oxopropyl]carbamate

propan-2-yl N-[3-(dimethylamino)-3-oxopropyl]carbamate (PubChem CID 116655237) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is propan-2-yl N-[3-(dimethylamino)-3-oxopropyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[3-(dimethylamino)-3-oxopropyl]carbamate
PubChem CID116655237
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Namepropan-2-yl N-[3-(dimethylamino)-3-oxopropyl]carbamate
SMILESCC(C)OC(=O)NCCC(=O)N(C)C
InChIInChI=1S/C9H18N2O3/c1-7(2)14-9(13)10-6-5-8(12)11(3)4/h7H,5-6H2,1-4H3,(H,10,13)
InChIKeyFVLGTWJDASLHAX-UHFFFAOYSA-N
XLogP0.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl N-(2-chloroethyl)carbamate
CID 15649892
propan-2-yl N-[2-[di(propan-2-yl)amino]ethyl]carbamate
CID 116653876
N-[3-(dimethylamino)-3-oxopropyl]-4-hydroxypentanamide
CID 79204974
propan-2-yl N-[2-(diethylamino)ethyl]carbamate
CID 116653752
(2S)-2-amino-N-[3-(dimethylamino)-3-oxopropyl]-3-methylpentanamide
CID 61174087
propan-2-yl N-[2-[cyclopropyl(methyl)amino]ethyl]carbamate
CID 116655780
propan-2-yl N-(3-ethoxypropyl)carbamate
CID 116653800
(2R)-2-amino-N-[3-(dimethylamino)-3-oxopropyl]-4-methylpentanamide
CID 104902959
propan-2-yl N-[2-(4-methyl-3-oxopentoxy)ethyl]carbamate
CID 169024379
propan-2-yl N-(3-triethoxysilylpropyl)carbamate
CID 87069299
propan-2-yl N-[2-(2,2,2-trifluoroethoxy)ethyl]carbamate
CID 116656095
N,N-dimethyl-3-(3-methylpentan-2-ylamino)propanamide
CID 60925489

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[3-(dimethylamino)-3-oxopropyl]carbamate?
The IUPAC name of propan-2-yl N-[3-(dimethylamino)-3-oxopropyl]carbamate (CID 116655237) is propan-2-yl N-[3-(dimethylamino)-3-oxopropyl]carbamate.
What is the SMILES notation for propan-2-yl N-[3-(dimethylamino)-3-oxopropyl]carbamate?
The canonical SMILES for propan-2-yl N-[3-(dimethylamino)-3-oxopropyl]carbamate is CC(C)OC(=O)NCCC(=O)N(C)C.
What is the InChIKey of propan-2-yl N-[3-(dimethylamino)-3-oxopropyl]carbamate?
The InChIKey is FVLGTWJDASLHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-7(2)14-9(13)10-6-5-8(12)11(3)4/h7H,5-6H2,1-4H3,(H,10,13).
What are the key properties of propan-2-yl N-[3-(dimethylamino)-3-oxopropyl]carbamate?
propan-2-yl N-[3-(dimethylamino)-3-oxopropyl]carbamate has a molecular weight of 202.25 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[3-(dimethylamino)-3-oxopropyl]carbamate is sourced from PubChem (CID 116655237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).