N-carbamoyl-2-[3-[methyl(propan-2-yl)amino]propylamino]propanamide

C11H24N4O2 — CID 106045951

IUPACN-carbamoyl-2-[3-[methyl(propan-2-yl)amino]propylamino]propanamide
SMILESCC(NCCCN(C)C(C)C)C(=O)NC(N)=O
InChIInChI=1S/C11H24N4O2/c1-8(2)15(4)7-5-6-13-9(3)10(16)14-11(12)17/h8-9,13H,5-7H2,1-4H3,(H3,12,14,16,17)
InChIKeyMVJRDLWUUCCTNE-UHFFFAOYSA-N
MW244.34 g/mol
LogP-0.11
Rot. Bonds7

About N-carbamoyl-2-[3-[methyl(propan-2-yl)amino]propylamino]propanamide

N-carbamoyl-2-[3-[methyl(propan-2-yl)amino]propylamino]propanamide (PubChem CID 106045951) has the molecular formula C11H24N4O2 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-carbamoyl-2-[3-[methyl(propan-2-yl)amino]propylamino]propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-[3-[methyl(propan-2-yl)amino]propylamino]propanamide
PubChem CID106045951
Molecular FormulaC11H24N4O2
Molecular Weight244.34 g/mol
Exact Mass244.19
IUPAC NameN-carbamoyl-2-[3-[methyl(propan-2-yl)amino]propylamino]propanamide
SMILESCC(NCCCN(C)C(C)C)C(=O)NC(N)=O
InChIInChI=1S/C11H24N4O2/c1-8(2)15(4)7-5-6-13-9(3)10(16)14-11(12)17/h8-9,13H,5-7H2,1-4H3,(H3,12,14,16,17)
InChIKeyMVJRDLWUUCCTNE-UHFFFAOYSA-N
XLogP-0.11
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-carbamoyl-2-[3-(dimethylamino)propylamino]propanamide
CID 43086025
N-carbamoyl-2-(3-hydroxypropylamino)propanamide
CID 43392786
N-carbamoyl-2-[2-[di(propan-2-yl)amino]ethylamino]propanamide
CID 43086354
N'-hydroxy-2-[3-[methyl(propan-2-yl)amino]propylamino]propanimidamide
CID 106034085
4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]butanoic acid
CID 43473366
ethyl 4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]butanoate
CID 60671920
(2S)-2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide
CID 106047587
methyl 3-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]propanoate
CID 60672495
2-[3-(dimethylamino)propylamino]-N-(methylcarbamoyl)propanamide
CID 43084265
N-tert-butyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]propanamide
CID 62641224
2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide
CID 106047623
2-carbamothioyl-3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide
CID 114139141

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[3-[methyl(propan-2-yl)amino]propylamino]propanamide?
The IUPAC name of N-carbamoyl-2-[3-[methyl(propan-2-yl)amino]propylamino]propanamide (CID 106045951) is N-carbamoyl-2-[3-[methyl(propan-2-yl)amino]propylamino]propanamide.
What is the SMILES notation for N-carbamoyl-2-[3-[methyl(propan-2-yl)amino]propylamino]propanamide?
The canonical SMILES for N-carbamoyl-2-[3-[methyl(propan-2-yl)amino]propylamino]propanamide is CC(NCCCN(C)C(C)C)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-[3-[methyl(propan-2-yl)amino]propylamino]propanamide?
The InChIKey is MVJRDLWUUCCTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O2/c1-8(2)15(4)7-5-6-13-9(3)10(16)14-11(12)17/h8-9,13H,5-7H2,1-4H3,(H3,12,14,16,17).
What are the key properties of N-carbamoyl-2-[3-[methyl(propan-2-yl)amino]propylamino]propanamide?
N-carbamoyl-2-[3-[methyl(propan-2-yl)amino]propylamino]propanamide has a molecular weight of 244.34 g/mol, XLogP of -0.11, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[3-[methyl(propan-2-yl)amino]propylamino]propanamide is sourced from PubChem (CID 106045951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).