1-tert-butyl-3-[4-(carbamoylamino)butyl]urea

C10H22N4O2 — CID 129172648

IUPAC1-tert-butyl-3-[4-(carbamoylamino)butyl]urea
SMILESCC(C)(C)NC(=O)NCCCCNC(N)=O
InChIInChI=1S/C10H22N4O2/c1-10(2,3)14-9(16)13-7-5-4-6-12-8(11)15/h4-7H2,1-3H3,(H3,11,12,15)(H2,13,14,16)
InChIKeyOBQWACSSEHMATF-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.53
Rot. Bonds5

About 1-tert-butyl-3-[4-(carbamoylamino)butyl]urea

1-tert-butyl-3-[4-(carbamoylamino)butyl]urea (PubChem CID 129172648) has the molecular formula C10H22N4O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-tert-butyl-3-[4-(carbamoylamino)butyl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[4-(carbamoylamino)butyl]urea
PubChem CID129172648
Molecular FormulaC10H22N4O2
Molecular Weight230.31 g/mol
Exact Mass230.17
IUPAC Name1-tert-butyl-3-[4-(carbamoylamino)butyl]urea
SMILESCC(C)(C)NC(=O)NCCCCNC(N)=O
InChIInChI=1S/C10H22N4O2/c1-10(2,3)14-9(16)13-7-5-4-6-12-8(11)15/h4-7H2,1-3H3,(H3,11,12,15)(H2,13,14,16)
InChIKeyOBQWACSSEHMATF-UHFFFAOYSA-N
XLogP0.53
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butyl-3-hexylurea
CID 115571487
1-tert-butyl-3-(3-chloropropyl)urea
CID 108896882
4-(tert-butylcarbamoylamino)butyl 2,2-dimethylpropanoate
CID 59765877
4-(tert-butylcarbamoylamino)butanoic acid
CID 2185486
1-[8-(carbamoylamino)octyl]-3-methylurea
CID 129172713
1-tert-butyl-3-(3-methylsulfanylpropyl)urea
CID 115693455
2-(tert-butylcarbamoylamino)ethyl carbamate
CID 116657528
1-tert-butyl-3-pent-4-ynylurea
CID 103753240
N-(2-amino-2-oxoethyl)-3-(tert-butylcarbamoylamino)propanamide
CID 141056869
(4-amino-4-methylpentyl)urea
CID 146343367
pentylurea;hydrate
CID 172845599
1-tert-butyl-3-[9-[(6,6-dimethyl-4-oxoheptyl)carbamoylamino]-4-oxononyl]urea
CID 159147171

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[4-(carbamoylamino)butyl]urea?
The IUPAC name of 1-tert-butyl-3-[4-(carbamoylamino)butyl]urea (CID 129172648) is 1-tert-butyl-3-[4-(carbamoylamino)butyl]urea.
What is the SMILES notation for 1-tert-butyl-3-[4-(carbamoylamino)butyl]urea?
The canonical SMILES for 1-tert-butyl-3-[4-(carbamoylamino)butyl]urea is CC(C)(C)NC(=O)NCCCCNC(N)=O.
What is the InChIKey of 1-tert-butyl-3-[4-(carbamoylamino)butyl]urea?
The InChIKey is OBQWACSSEHMATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O2/c1-10(2,3)14-9(16)13-7-5-4-6-12-8(11)15/h4-7H2,1-3H3,(H3,11,12,15)(H2,13,14,16).
What are the key properties of 1-tert-butyl-3-[4-(carbamoylamino)butyl]urea?
1-tert-butyl-3-[4-(carbamoylamino)butyl]urea has a molecular weight of 230.31 g/mol, XLogP of 0.53, 5 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[4-(carbamoylamino)butyl]urea is sourced from PubChem (CID 129172648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).