[4-[(dimethylamino)methyl]anilino]urea

C10H16N4O — CID 174921492

IUPAC[4-[(dimethylamino)methyl]anilino]urea
SMILESCN(C)Cc1ccc(NNC(N)=O)cc1
InChIInChI=1S/C10H16N4O/c1-14(2)7-8-3-5-9(6-4-8)12-13-10(11)15/h3-6,12H,7H2,1-2H3,(H3,11,13,15)
InChIKeyBSDDBRMCMQQTTK-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.74
Rot. Bonds4

About [4-[(dimethylamino)methyl]anilino]urea

[4-[(dimethylamino)methyl]anilino]urea (PubChem CID 174921492) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is [4-[(dimethylamino)methyl]anilino]urea.

Molecular Properties

Compound Name[4-[(dimethylamino)methyl]anilino]urea
PubChem CID174921492
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name[4-[(dimethylamino)methyl]anilino]urea
SMILESCN(C)Cc1ccc(NNC(N)=O)cc1
InChIInChI=1S/C10H16N4O/c1-14(2)7-8-3-5-9(6-4-8)12-13-10(11)15/h3-6,12H,7H2,1-2H3,(H3,11,13,15)
InChIKeyBSDDBRMCMQQTTK-UHFFFAOYSA-N
XLogP0.74
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-[2-(dimethylamino)ethoxy]anilino]urea
CID 144637882
(2S)-2-amino-N-[4-[(dimethylamino)methyl]phenyl]propanamide
CID 61146186
2-amino-N-[4-[(dimethylamino)methyl]phenyl]-2-methylpropanamide
CID 61265996
4-[(dimethylamino)methyl]-N-methylaniline
CID 59619039
(2S)-2-amino-N-[4-[(dimethylamino)methyl]phenyl]butanamide
CID 79024584
[4-[(dimethylamino)methyl]phenyl]methyl-methylcarbamic acid
CID 170154871
2-amino-N-[2-[4-[(dimethylamino)methyl]anilino]-2-oxoethyl]acetamide
CID 54928469
4-[4-[(dimethylamino)methyl]anilino]-4-oxobutanoic acid
CID 54868215
2-(aminomethyl)-N-[4-[(dimethylamino)methyl]phenyl]-2-ethylbutanamide
CID 115431890
N-[4-[(dimethylamino)methyl]phenyl]-4-methylbenzamide
CID 37243297
[4-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl acetate
CID 70808950
[4-[2-(dimethylamino)ethyl]phenyl]urea
CID 150231962

Frequently Asked Questions

What is the IUPAC name of [4-[(dimethylamino)methyl]anilino]urea?
The IUPAC name of [4-[(dimethylamino)methyl]anilino]urea (CID 174921492) is [4-[(dimethylamino)methyl]anilino]urea.
What is the SMILES notation for [4-[(dimethylamino)methyl]anilino]urea?
The canonical SMILES for [4-[(dimethylamino)methyl]anilino]urea is CN(C)Cc1ccc(NNC(N)=O)cc1.
What is the InChIKey of [4-[(dimethylamino)methyl]anilino]urea?
The InChIKey is BSDDBRMCMQQTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-14(2)7-8-3-5-9(6-4-8)12-13-10(11)15/h3-6,12H,7H2,1-2H3,(H3,11,13,15).
What are the key properties of [4-[(dimethylamino)methyl]anilino]urea?
[4-[(dimethylamino)methyl]anilino]urea has a molecular weight of 208.26 g/mol, XLogP of 0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(dimethylamino)methyl]anilino]urea is sourced from PubChem (CID 174921492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).