3-[2-(dimethylcarbamoylamino)ethylamino]-N-(2-propan-2-ylphenyl)butanamide

C18H30N4O2 — CID 154785307

IUPAC3-[2-(dimethylcarbamoylamino)ethylamino]-N-(2-propan-2-ylphenyl)butanamide
SMILESCC(CC(=O)Nc1ccccc1C(C)C)NCCNC(=O)N(C)C
InChIInChI=1S/C18H30N4O2/c1-13(2)15-8-6-7-9-16(15)21-17(23)12-14(3)19-10-11-20-18(24)22(4)5/h6-9,13-14,19H,10-12H2,1-5H3,(H,20,24)(H,21,23)
InChIKeyIYYMLRZEGAAAIT-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.39
Rot. Bonds8

About 3-[2-(dimethylcarbamoylamino)ethylamino]-N-(2-propan-2-ylphenyl)butanamide

3-[2-(dimethylcarbamoylamino)ethylamino]-N-(2-propan-2-ylphenyl)butanamide (PubChem CID 154785307) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 3-[2-(dimethylcarbamoylamino)ethylamino]-N-(2-propan-2-ylphenyl)butanamide.

Molecular Properties

Compound Name3-[2-(dimethylcarbamoylamino)ethylamino]-N-(2-propan-2-ylphenyl)butanamide
PubChem CID154785307
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name3-[2-(dimethylcarbamoylamino)ethylamino]-N-(2-propan-2-ylphenyl)butanamide
SMILESCC(CC(=O)Nc1ccccc1C(C)C)NCCNC(=O)N(C)C
InChIInChI=1S/C18H30N4O2/c1-13(2)15-8-6-7-9-16(15)21-17(23)12-14(3)19-10-11-20-18(24)22(4)5/h6-9,13-14,19H,10-12H2,1-5H3,(H,20,24)(H,21,23)
InChIKeyIYYMLRZEGAAAIT-UHFFFAOYSA-N
XLogP2.39
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N,2-N,3-N,4-N-tetrakis(2-propan-2-ylphenyl)butane-1,2,3,4-tetracarboxamide
CID 67992289
3-(butan-2-ylamino)-N-(2-propan-2-ylphenyl)propanamide
CID 109013163
3-[2-[1-(2-hydroxyphenyl)ethylamino]ethyl]-1,1-dimethylurea
CID 83116843
1,1-dimethyl-3-[2-[1-(2-methylphenyl)ethylamino]ethyl]urea
CID 83116277
N-(2-propan-2-ylphenyl)propanamide
CID 723442
2-iodo-N-(2-propan-2-ylphenyl)acetamide
CID 4198881
4-amino-3-methyl-N-(2-propan-2-ylphenyl)butanamide
CID 81071847
(3R)-3-[[(3S)-3-hydroxythiolan-3-yl]methylamino]-N-(2-propan-2-ylphenyl)butanamide
CID 97233121
(2S)-2-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]propanoic acid
CID 83194689
2-nitroso-N-(2-propan-2-ylphenyl)acetamide
CID 91475814
1,1-dimethyl-3-[2-[1-(propylamino)ethyl]phenyl]urea
CID 79154849
(2S)-2-chloro-N-[3-oxo-3-(2-propan-2-ylanilino)propyl]propanamide
CID 26584984

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylcarbamoylamino)ethylamino]-N-(2-propan-2-ylphenyl)butanamide?
The IUPAC name of 3-[2-(dimethylcarbamoylamino)ethylamino]-N-(2-propan-2-ylphenyl)butanamide (CID 154785307) is 3-[2-(dimethylcarbamoylamino)ethylamino]-N-(2-propan-2-ylphenyl)butanamide.
What is the SMILES notation for 3-[2-(dimethylcarbamoylamino)ethylamino]-N-(2-propan-2-ylphenyl)butanamide?
The canonical SMILES for 3-[2-(dimethylcarbamoylamino)ethylamino]-N-(2-propan-2-ylphenyl)butanamide is CC(CC(=O)Nc1ccccc1C(C)C)NCCNC(=O)N(C)C.
What is the InChIKey of 3-[2-(dimethylcarbamoylamino)ethylamino]-N-(2-propan-2-ylphenyl)butanamide?
The InChIKey is IYYMLRZEGAAAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-13(2)15-8-6-7-9-16(15)21-17(23)12-14(3)19-10-11-20-18(24)22(4)5/h6-9,13-14,19H,10-12H2,1-5H3,(H,20,24)(H,21,23).
What are the key properties of 3-[2-(dimethylcarbamoylamino)ethylamino]-N-(2-propan-2-ylphenyl)butanamide?
3-[2-(dimethylcarbamoylamino)ethylamino]-N-(2-propan-2-ylphenyl)butanamide has a molecular weight of 334.46 g/mol, XLogP of 2.39, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylcarbamoylamino)ethylamino]-N-(2-propan-2-ylphenyl)butanamide is sourced from PubChem (CID 154785307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).