N-[2-(dimethylcarbamoylamino)ethyl]propanamide

C8H17N3O2 — CID 83117545

IUPACN-[2-(dimethylcarbamoylamino)ethyl]propanamide
SMILESCCC(=O)NCCNC(=O)N(C)C
InChIInChI=1S/C8H17N3O2/c1-4-7(12)9-5-6-10-8(13)11(2)3/h4-6H2,1-3H3,(H,9,12)(H,10,13)
InChIKeyWVQJDNVCELIKPY-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.22
Rot. Bonds4

About N-[2-(dimethylcarbamoylamino)ethyl]propanamide

N-[2-(dimethylcarbamoylamino)ethyl]propanamide (PubChem CID 83117545) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is N-[2-(dimethylcarbamoylamino)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(dimethylcarbamoylamino)ethyl]propanamide
PubChem CID83117545
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC NameN-[2-(dimethylcarbamoylamino)ethyl]propanamide
SMILESCCC(=O)NCCNC(=O)N(C)C
InChIInChI=1S/C8H17N3O2/c1-4-7(12)9-5-6-10-8(13)11(2)3/h4-6H2,1-3H3,(H,9,12)(H,10,13)
InChIKeyWVQJDNVCELIKPY-UHFFFAOYSA-N
XLogP-0.22
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylcarbamoylamino)ethyl]-2-sulfanylacetamide
CID 83117465
N-[2-(dimethylcarbamoylamino)ethyl]-3-(ethylamino)propanamide
CID 83111812
4-amino-N-[2-(dimethylcarbamoylamino)ethyl]butanamide
CID 83111457
N-[2-(dimethylcarbamoylamino)ethyl]-2-methylpropanamide
CID 108575110
5-bromo-N-[2-(dimethylcarbamoylamino)ethyl]pentanamide
CID 107910490
N-[2-(carbamoylamino)ethyl]propanamide
CID 78993883
(2R)-2-amino-N-[2-(dimethylcarbamoylamino)ethyl]butanamide
CID 83110467
N-[2-(dimethylcarbamoylamino)ethyl]-2-(prop-2-enylamino)acetamide
CID 83110912
N-[2-[2-[bis[2-(propanoylamino)ethyl]amino]ethyl-[2-(propanoylamino)ethyl]amino]ethyl]propanamide
CID 129308455
methyl N-[2-(propanoylamino)ethyl]carbamate
CID 108574125
3-[2-(dodecylamino)ethyl]-1,1-dimethylurea
CID 83113481
2-(1-aminocyclobutyl)-N-[2-(dimethylcarbamoylamino)ethyl]acetamide
CID 83112019

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylcarbamoylamino)ethyl]propanamide?
The IUPAC name of N-[2-(dimethylcarbamoylamino)ethyl]propanamide (CID 83117545) is N-[2-(dimethylcarbamoylamino)ethyl]propanamide.
What is the SMILES notation for N-[2-(dimethylcarbamoylamino)ethyl]propanamide?
The canonical SMILES for N-[2-(dimethylcarbamoylamino)ethyl]propanamide is CCC(=O)NCCNC(=O)N(C)C.
What is the InChIKey of N-[2-(dimethylcarbamoylamino)ethyl]propanamide?
The InChIKey is WVQJDNVCELIKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-4-7(12)9-5-6-10-8(13)11(2)3/h4-6H2,1-3H3,(H,9,12)(H,10,13).
What are the key properties of N-[2-(dimethylcarbamoylamino)ethyl]propanamide?
N-[2-(dimethylcarbamoylamino)ethyl]propanamide has a molecular weight of 187.24 g/mol, XLogP of -0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylcarbamoylamino)ethyl]propanamide is sourced from PubChem (CID 83117545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).