1-[2-[butan-2-yl(methyl)amino]ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea

C14H29N3O2 — CID 111104207

IUPAC1-[2-[butan-2-yl(methyl)amino]ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
SMILESCCC(C)N(C)CCNC(=O)NCC1(O)CCCC1
InChIInChI=1S/C14H29N3O2/c1-4-12(2)17(3)10-9-15-13(18)16-11-14(19)7-5-6-8-14/h12,19H,4-11H2,1-3H3,(H2,15,16,18)
InChIKeyNEIXNHQXDPFCMN-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.32
Rot. Bonds7

About 1-[2-[butan-2-yl(methyl)amino]ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea

1-[2-[butan-2-yl(methyl)amino]ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea (PubChem CID 111104207) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-[2-[butan-2-yl(methyl)amino]ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea.

Molecular Properties

Compound Name1-[2-[butan-2-yl(methyl)amino]ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
PubChem CID111104207
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name1-[2-[butan-2-yl(methyl)amino]ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
SMILESCCC(C)N(C)CCNC(=O)NCC1(O)CCCC1
InChIInChI=1S/C14H29N3O2/c1-4-12(2)17(3)10-9-15-13(18)16-11-14(19)7-5-6-8-14/h12,19H,4-11H2,1-3H3,(H2,15,16,18)
InChIKeyNEIXNHQXDPFCMN-UHFFFAOYSA-N
XLogP1.32
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[butan-2-yl(methyl)amino]ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438629
1-[3-[di(propan-2-yl)amino]propyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 111542851
1-[(1-hydroxycyclohexyl)methyl]-3-[2-(N-methylanilino)ethyl]urea
CID 110936506
1-[(1-hydroxycycloheptyl)methyl]-3-[2-(2-methylpropoxy)ethyl]urea
CID 111426754
1-[(1-hydroxycyclohexyl)methyl]-3-(3-propan-2-yloxypropyl)urea
CID 110936450
2-(1-hydroxycyclohexyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide
CID 111464650
N-[(1-hydroxycyclopentyl)methyl]-3-methylpentanamide
CID 114875416
(2S)-2-(dimethylamino)-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 111840753
1-[(1-hydroxycyclopentyl)methyl]-3-(1-methoxybutan-2-yl)urea
CID 111439144
1-(3-ethoxy-4-methylpentyl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111542826
1-[2-[4-(dimethylamino)phenyl]ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111104180
(2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]propanamide
CID 103814253

Frequently Asked Questions

What is the IUPAC name of 1-[2-[butan-2-yl(methyl)amino]ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea?
The IUPAC name of 1-[2-[butan-2-yl(methyl)amino]ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea (CID 111104207) is 1-[2-[butan-2-yl(methyl)amino]ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea.
What is the SMILES notation for 1-[2-[butan-2-yl(methyl)amino]ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea?
The canonical SMILES for 1-[2-[butan-2-yl(methyl)amino]ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea is CCC(C)N(C)CCNC(=O)NCC1(O)CCCC1.
What is the InChIKey of 1-[2-[butan-2-yl(methyl)amino]ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea?
The InChIKey is NEIXNHQXDPFCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-4-12(2)17(3)10-9-15-13(18)16-11-14(19)7-5-6-8-14/h12,19H,4-11H2,1-3H3,(H2,15,16,18).
What are the key properties of 1-[2-[butan-2-yl(methyl)amino]ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea?
1-[2-[butan-2-yl(methyl)amino]ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea has a molecular weight of 271.40 g/mol, XLogP of 1.32, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[butan-2-yl(methyl)amino]ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea is sourced from PubChem (CID 111104207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).